 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer13_STD_M11_augccpVDZ.in
 Output=12_L-valine_conformer13_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-217472.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    217489.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer13_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer13_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.440615000000      0.153795000000     -0.669675000000
  C                                                 1.139680000000     -0.482678000000     -0.185187000000
  C                                                -0.064388000000      0.433960000000     -0.468576000000
  C                                                -1.393633000000     -0.311348000000     -0.237189000000
  O                                                -2.341078000000      0.435941000000      0.339139000000
  C                                                 1.225474000000     -0.882175000000      1.288520000000
  N                                                -0.086110000000      1.714563000000      0.252336000000
  O                                                -1.573078000000     -1.451319000000     -0.570526000000
  H                                                -0.064405000000      0.666302000000     -1.537552000000
  H                                                 0.955080000000     -1.389343000000     -0.764288000000
  H                                                -1.913463000000      1.308566000000      0.499915000000
  H                                                 0.364571000000      1.641581000000      1.156509000000
  H                                                 0.373024000000      2.450485000000     -0.265418000000
  H                                                 0.304091000000     -1.355802000000      1.629384000000
  H                                                 2.039602000000     -1.591968000000      1.440373000000
  H                                                 1.432706000000     -0.023887000000      1.934977000000
  H                                                 2.391139000000      0.402937000000     -1.732114000000
  H                                                 2.666906000000      1.070641000000     -0.118883000000
  H                                                 3.280277000000     -0.527749000000     -0.525512000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.527173   0.000000
     3  C    2.528631   1.539583   0.000000
     4  C    3.886497   2.539632   1.541401   0.000000
     5  O    4.895089   3.637919   2.415724   1.337253   0.000000
     6  C    2.526723   1.529304   2.546241   3.084372   3.919062
     7  N    3.109733   2.553792   1.469738   2.460400   2.593702
     8  O    4.323882   2.906167   2.416778   1.201186   2.231382
     9  H    2.700185   2.144497   1.093934   2.100855   2.959438
    10  H    2.144071   1.091548   2.109785   2.637491   3.926050
    11  H    4.653969   3.605496   2.263181   1.854095   0.984976
    12  H    3.139811   2.629338   2.069603   2.974493   3.072816
    13  H    3.116591   3.032762   2.073397   3.278658   3.433690
    14  H    3.482713   2.180189   2.782168   2.730796   3.445576
    15  H    2.767815   2.163985   3.489304   4.030050   4.951312
    16  H    2.798511   2.188938   2.868446   3.576189   4.123055
    17  H    1.092381   2.177946   2.761721   4.131525   5.165758
    18  H    1.093246   2.179361   2.826237   4.290905   5.068780
    19  H    1.091017   2.167950   3.480648   4.687792   5.768531
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.088200   0.000000
     8  O    3.407619   3.593186   0.000000
     9  H    3.471059   2.074373   2.774086   0.000000
    10  H    2.131749   3.428095   2.536330   2.421356   0.000000
    11  H    3.908218   1.888213   2.979710   2.825383   4.135875
    12  H    2.669817   1.012901   4.037718   2.897094   3.636573
    13  H    3.774655   1.010175   4.370867   2.234497   3.915602
    14  H    1.090622   3.387574   2.893526   3.775471   2.480842
    15  H    1.090720   4.106486   4.137022   4.288900   2.465314
    16  H    1.094308   2.856622   4.165314   3.843977   3.062455
    17  H    3.483463   3.434409   4.527976   2.477279   2.492232
    18  H    2.805708   2.851585   4.953961   3.104218   3.065684
    19  H    2.763792   4.118929   4.940654   3.692815   2.491164
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.394045   0.000000
    13  H    2.667909   1.635932   0.000000
    14  H    3.645834   3.035057   4.252393   0.000000
    15  H    4.992422   3.652690   4.693467   1.761675   0.000000
    16  H    3.877071   2.126196   3.476662   1.772331   1.752665
    17  H    4.932719   3.739700   3.227451   4.329965   3.764027
    18  H    4.628099   2.693203   2.680921   3.811425   3.148694
    19  H    5.603435   4.004563   4.170090   3.766554   2.556666
                   16         17         18         19
    16  H    0.000000
    17  H    3.814227   0.000000
    18  H    2.634309   1.767595   0.000000
    19  H    3.117916   1.764265   1.759665   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0457750           1.4734547           1.2560050
 Leave Link  202 at Thu Aug 12 21:00:21 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.5379247680 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:00:22 2021, MaxMem=  5368709120 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  7.76D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:00:23 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:00:23 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer13_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:00:23 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.211037616176    
 DIIS: error= 2.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.211037616176     IErMin= 1 ErrMin= 2.71D-03
 ErrMax= 2.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-02 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.439 Goal=   None    Shift=    0.000
 GapD=    0.439 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.25D-02 MaxDP=1.20D+00              OVMax= 1.60D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.23D-02    CP:  1.08D+00
 E= -402.222985288755     Delta-E=       -0.011947672579 Rises=F Damp=F
 DIIS: error= 9.53D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.222985288755     IErMin= 2 ErrMin= 9.53D-04
 ErrMax= 9.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-04 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.53D-03
 Coeff-Com:  0.175D-02 0.998D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.173D-02 0.998D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=2.22D-03 MaxDP=2.29D-01 DE=-1.19D-02 OVMax= 7.86D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.95D-04    CP:  1.10D+00  1.16D+00
 E= -402.223305630823     Delta-E=       -0.000320342068 Rises=F Damp=F
 DIIS: error= 9.37D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.223305630823     IErMin= 3 ErrMin= 9.37D-04
 ErrMax= 9.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-04 BMatP= 6.31D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.37D-03
 Coeff-Com: -0.512D-01 0.509D+00 0.542D+00
 Coeff-En:   0.000D+00 0.237D+00 0.763D+00
 Coeff:     -0.507D-01 0.506D+00 0.544D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.06D-04 MaxDP=2.49D-02 DE=-3.20D-04 OVMax= 4.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.56D-04    CP:  1.10D+00  1.17D+00  1.09D+00
 E= -402.223686626021     Delta-E=       -0.000380995197 Rises=F Damp=F
 DIIS: error= 1.38D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.223686626021     IErMin= 4 ErrMin= 1.38D-04
 ErrMax= 1.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-05 BMatP= 5.75D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.38D-03
 Coeff-Com: -0.999D-02 0.301D-01 0.110D+00 0.870D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.998D-02 0.300D-01 0.110D+00 0.870D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=5.13D-03 DE=-3.81D-04 OVMax= 1.17D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.90D-05    CP:  1.10D+00  1.18D+00  1.15D+00  1.19D+00
 E= -402.223698505671     Delta-E=       -0.000011879650 Rises=F Damp=F
 DIIS: error= 7.19D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.223698505671     IErMin= 5 ErrMin= 7.19D-05
 ErrMax= 7.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-06 BMatP= 1.17D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.264D-02-0.569D-01-0.303D-01 0.407D+00 0.677D+00
 Coeff:      0.264D-02-0.569D-01-0.303D-01 0.407D+00 0.677D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=4.04D-05 MaxDP=2.58D-03 DE=-1.19D-05 OVMax= 6.42D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.55D-05    CP:  1.10D+00  1.18D+00  1.16D+00  1.29D+00  1.27D+00
 E= -402.223702097366     Delta-E=       -0.000003591696 Rises=F Damp=F
 DIIS: error= 1.51D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.223702097366     IErMin= 6 ErrMin= 1.51D-05
 ErrMax= 1.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.79D-07 BMatP= 4.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.226D-02-0.278D-01-0.265D-01 0.843D-01 0.286D+00 0.682D+00
 Coeff:      0.226D-02-0.278D-01-0.265D-01 0.843D-01 0.286D+00 0.682D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=1.42D-03 DE=-3.59D-06 OVMax= 1.99D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.53D-06    CP:  1.10D+00  1.18D+00  1.16D+00  1.31D+00  1.36D+00
                    CP:  1.25D+00
 E= -402.223702458061     Delta-E=       -0.000000360694 Rises=F Damp=F
 DIIS: error= 4.74D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.223702458061     IErMin= 7 ErrMin= 4.74D-06
 ErrMax= 4.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-08 BMatP= 3.79D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-03 0.138D-02-0.224D-02-0.374D-01-0.257D-01 0.175D+00
 Coeff-Com:  0.889D+00
 Coeff:      0.176D-03 0.138D-02-0.224D-02-0.374D-01-0.257D-01 0.175D+00
 Coeff:      0.889D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.78D-06 MaxDP=7.33D-04 DE=-3.61D-07 OVMax= 9.67D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.48D-06    CP:  1.10D+00  1.18D+00  1.15D+00  1.32D+00  1.41D+00
                    CP:  1.31D+00  1.23D+00
 E= -402.223702503475     Delta-E=       -0.000000045414 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.223702503475     IErMin= 8 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-09 BMatP= 2.68D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-03 0.254D-02 0.177D-02-0.160D-01-0.295D-01-0.228D-01
 Coeff-Com:  0.199D+00 0.865D+00
 Coeff:     -0.141D-03 0.254D-02 0.177D-02-0.160D-01-0.295D-01-0.228D-01
 Coeff:      0.199D+00 0.865D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.40D-06 MaxDP=1.83D-04 DE=-4.54D-08 OVMax= 3.48D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.95D-07    CP:  1.10D+00  1.18D+00  1.15D+00  1.32D+00  1.42D+00
                    CP:  1.33D+00  1.33D+00  1.32D+00
 E= -402.223702507914     Delta-E=       -0.000000004438 Rises=F Damp=F
 DIIS: error= 4.98D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.223702507914     IErMin= 9 ErrMin= 4.98D-07
 ErrMax= 4.98D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-10 BMatP= 2.38D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.607D-04 0.642D-03 0.860D-03-0.101D-02-0.632D-02-0.292D-01
 Coeff-Com: -0.391D-01 0.282D+00 0.792D+00
 Coeff:     -0.607D-04 0.642D-03 0.860D-03-0.101D-02-0.632D-02-0.292D-01
 Coeff:     -0.391D-01 0.282D+00 0.792D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=6.90D-07 MaxDP=5.08D-05 DE=-4.44D-09 OVMax= 1.39D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.64D-07    CP:  1.10D+00  1.18D+00  1.15D+00  1.32D+00  1.42D+00
                    CP:  1.33D+00  1.37D+00  1.45D+00  1.21D+00
 E= -402.223702508594     Delta-E=       -0.000000000681 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.223702508594     IErMin=10 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-11 BMatP= 3.91D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.269D-05-0.165D-03-0.672D-05 0.180D-02 0.245D-02-0.359D-02
 Coeff-Com: -0.317D-01-0.483D-01 0.154D+00 0.925D+00
 Coeff:      0.269D-05-0.165D-03-0.672D-05 0.180D-02 0.245D-02-0.359D-02
 Coeff:     -0.317D-01-0.483D-01 0.154D+00 0.925D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.62D-07 MaxDP=1.44D-05 DE=-6.81D-10 OVMax= 5.82D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.02D-07    CP:  1.10D+00  1.18D+00  1.15D+00  1.32D+00  1.42D+00
                    CP:  1.33D+00  1.38D+00  1.48D+00  1.34D+00  1.41D+00
 E= -402.223702508637     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 5.70D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.223702508637     IErMin=11 ErrMin= 5.70D-08
 ErrMax= 5.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.85D-12 BMatP= 3.53D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.939D-05-0.133D-03-0.124D-03 0.602D-03 0.150D-02 0.284D-02
 Coeff-Com: -0.330D-02-0.493D-01-0.581D-01 0.251D+00 0.855D+00
 Coeff:      0.939D-05-0.133D-03-0.124D-03 0.602D-03 0.150D-02 0.284D-02
 Coeff:     -0.330D-02-0.493D-01-0.581D-01 0.251D+00 0.855D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.59D-08 MaxDP=4.71D-06 DE=-4.24D-11 OVMax= 2.22D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.21D-08    CP:  1.10D+00  1.18D+00  1.15D+00  1.32D+00  1.42D+00
                    CP:  1.33D+00  1.38D+00  1.49D+00  1.38D+00  1.54D+00
                    CP:  1.17D+00
 E= -402.223702508659     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 2.41D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.223702508659     IErMin=12 ErrMin= 2.41D-08
 ErrMax= 2.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-13 BMatP= 4.85D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.663D-06 0.448D-05-0.145D-04-0.132D-03-0.928D-04 0.724D-03
 Coeff-Com:  0.304D-02-0.416D-03-0.237D-01-0.727D-01 0.944D-01 0.999D+00
 Coeff:      0.663D-06 0.448D-05-0.145D-04-0.132D-03-0.928D-04 0.724D-03
 Coeff:      0.304D-02-0.416D-03-0.237D-01-0.727D-01 0.944D-01 0.999D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.24D-08 MaxDP=7.96D-07 DE=-2.22D-11 OVMax= 9.31D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.23D-08    CP:  1.10D+00  1.18D+00  1.15D+00  1.32D+00  1.42D+00
                    CP:  1.33D+00  1.38D+00  1.49D+00  1.38D+00  1.57D+00
                    CP:  1.26D+00  1.24D+00
 E= -402.223702508689     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 9.77D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -402.223702508689     IErMin=13 ErrMin= 9.77D-09
 ErrMax= 9.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.33D-14 BMatP= 4.15D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.967D-06 0.157D-04 0.117D-04-0.899D-04-0.183D-03-0.191D-03
 Coeff-Com:  0.831D-03 0.536D-02 0.283D-02-0.387D-01-0.860D-01 0.146D+00
 Coeff-Com:  0.971D+00
 Coeff:     -0.967D-06 0.157D-04 0.117D-04-0.899D-04-0.183D-03-0.191D-03
 Coeff:      0.831D-03 0.536D-02 0.283D-02-0.387D-01-0.860D-01 0.146D+00
 Coeff:      0.971D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.94D-09 MaxDP=4.81D-07 DE=-2.96D-11 OVMax= 3.91D-07

 SCF Done:  E(RM11) =  -402.223702509     A.U. after   13 cycles
            NFock= 13  Conv=0.79D-08     -V/T= 2.0071
 KE= 3.994023435577D+02 PE=-1.755464085265D+03 EE= 5.453001144304D+02
 Leave Link  502 at Thu Aug 12 21:02:27 2021, MaxMem=  5368709120 cpu:             987.4 elap:             123.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.70563181D+02

 Leave Link  801 at Thu Aug 12 21:02:27 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.49D-01 4.15D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.00D-02 3.93D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.82D-03 1.13D-02.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.06D-04 2.15D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.75D-06 3.01D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.14D-07 3.91D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.33D-09 6.47D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 6.84D-11 1.01D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.13D-12 1.27D-07.
      6 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.78D-14 1.32D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.866625D+02
      2 -0.103555D+00  0.809778D+02
      3 -0.193023D+01  0.143949D+01  0.712143D+02
 Isotropic polarizability for W=    0.088559       79.62 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.764813D+02 -0.829755D+01 -0.206617D+01
      2  -0.437264D+02  0.850751D+01 -0.152878D+00
      3  -0.327548D+02 -0.209956D+00  0.221905D+01
      4  -0.538009D+01  0.394111D+02 -0.211274D+02
      5   0.603702D+01 -0.230861D+02  0.761794D+02
      6  -0.931714D+01  0.796444D+01  0.375633D+00
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.640974D+00 -0.264047D+00  0.116699D+01
      2   0.257871D+01 -0.790287D+01  0.350574D+02
      3   0.587758D+01 -0.186550D+02  0.844420D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.195862D+01  0.811732D+01 -0.585589D+00
      2  -0.810319D+01 -0.118103D+02  0.108934D+03
      3   0.291746D+01 -0.831376D+02  0.137689D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.218988D+00 -0.576899D+00 -0.146966D+01
      2  -0.576899D+00  0.159001D+01 -0.876019D+00
      3  -0.146966D+01 -0.876019D+00 -0.188718D+00
 OR G Eigenvalues:    -1.9706     1.2034     1.9495  Iso=    -0.3941
 Eigenvectors:
   (1)   0.669506   0.277951   0.688843
   (2)   0.742536  -0.275450  -0.610547
   (3)   0.020039   0.920256  -0.390804
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3941 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =     -170.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 8.75D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.88D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.86D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.72D-02 3.32D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.43D-03 4.18D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 2.03D-05 6.76D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.50D-07 5.67D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.58D-09 4.82D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.65D-11 6.25D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.17D-13 4.04D-08.
      2 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.81D-15 4.01D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 4.93D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 4.93D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.73D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866625D+02 -0.103555D+00 -0.193023D+01
      2  -0.103555D+00  0.809778D+02  0.143949D+01
      3  -0.193023D+01  0.143949D+01  0.712143D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.640974D+00 -0.264047D+00  0.116699D+01
      2   0.257871D+01 -0.790287D+01  0.350574D+02
      3   0.587758D+01 -0.186550D+02  0.844420D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.764813D+02 -0.829755D+01 -0.206617D+01
      2  -0.437264D+02  0.850751D+01 -0.152878D+00
      3  -0.327548D+02 -0.209956D+00  0.221905D+01
      4  -0.538009D+01  0.394111D+02 -0.211274D+02
      5   0.603702D+01 -0.230861D+02  0.761794D+02
      6  -0.931714D+01  0.796444D+01  0.375633D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.117455D+01  0.415706D+01 -0.230912D+01  0.483606D+01 -0.315512D+01
      2   0.415706D+01 -0.256561D+01 -0.106047D+01 -0.315512D+01 -0.229446D+01
      3  -0.230912D+01 -0.106047D+01  0.717334D+00 -0.971908D+00 -0.221512D+01
                 6             7             8             9            10 
      1  -0.971908D+00 -0.262978D+01 -0.610712D+00 -0.395581D+00  0.190173D+01
      2  -0.221512D+01 -0.610712D+00 -0.223528D+01 -0.313973D+01 -0.384999D+01
      3  -0.286783D+01 -0.395581D+00 -0.313973D+01  0.654830D+01  0.280105D+01
                11            12            13            14            15 
      1  -0.384999D+01  0.280105D+01 -0.484737D+01  0.190803D+01  0.109246D+01
      2   0.198233D+01  0.121683D+01  0.190803D+01  0.266518D+01  0.257090D+01
      3   0.121683D+01 -0.347997D+00  0.109246D+01  0.257090D+01  0.338347D+01
                16            17            18            19            20 
      1   0.307690D+01  0.825982D+00 -0.902983D-01 -0.778811D+00  0.366992D+01
      2   0.825982D+00  0.229248D+01  0.384219D+01  0.366992D+01 -0.915964D+00
      3  -0.902983D-01  0.384219D+01 -0.415685D+01 -0.640365D+00 -0.200114D+00
                21            22            23            24            25 
      1  -0.640365D+00  0.456221D+01  0.195373D+00  0.219291D+00 -0.739739D+00
      2  -0.200114D+00  0.195373D+00 -0.171371D+01 -0.110618D+01  0.704291D+00
      3  -0.528568D-01  0.219291D+00 -0.110618D+01 -0.126265D+01  0.217497D+00
                26            27            28            29            30 
      1   0.704291D+00  0.217497D+00 -0.234389D+01 -0.211176D+01 -0.810649D-01
      2  -0.111614D+01 -0.232416D+01 -0.211176D+01  0.701854D-01  0.656102D+00
      3  -0.232416D+01  0.591230D+01 -0.810649D-01  0.656102D+00 -0.492431D+00
                31            32            33            34            35 
      1  -0.914296D+00  0.121664D+01  0.955814D+00  0.223333D+00  0.975931D+00
      2   0.121664D+01  0.486631D+01  0.159603D+01  0.975931D+00  0.201412D+01
      3   0.955814D+00  0.159603D+01  0.737118D+00  0.275535D+00  0.810820D+00
                36            37            38            39            40 
      1   0.275535D+00 -0.788285D+01  0.117769D+01  0.146218D+01 -0.212884D+01
      2   0.810820D+00  0.117769D+01 -0.188583D+01 -0.526824D+00 -0.344872D+01
      3   0.334821D-03  0.146218D+01 -0.526824D+00 -0.928481D+00 -0.147522D+00
                41            42            43            44            45 
      1  -0.344872D+01 -0.147522D+00  0.116312D+01 -0.681273D+00 -0.194164D+01
      2  -0.120144D+01 -0.176686D+00 -0.681273D+00 -0.625843D+00  0.662603D+00
      3  -0.176686D+00 -0.628887D-01 -0.194164D+01  0.662603D+00  0.187402D+01
                46            47            48            49            50 
      1   0.272449D+00  0.515119D+01 -0.324234D+01  0.497210D+01 -0.230254D+01
      2   0.515119D+01 -0.239092D+01 -0.740358D+00 -0.230254D+01 -0.179529D+00
      3  -0.324234D+01 -0.740358D+00  0.344728D+00 -0.820431D+00 -0.324404D+01
                51            52            53            54            55 
      1  -0.820431D+00 -0.237207D+01 -0.818973D+00  0.249710D+00 -0.845131D+00
      2  -0.324404D+01 -0.818973D+00 -0.248492D+01 -0.324815D+01 -0.105825D+01
      3  -0.261272D+01  0.249710D+00 -0.324815D+01  0.245510D+01 -0.145405D+00
                56            57            58            59            60 
      1  -0.105825D+01 -0.145405D+00 -0.102843D+01 -0.293721D+01  0.264266D+00
      2  -0.262298D+01  0.374553D+00 -0.293721D+01  0.259769D+01  0.212751D+01
      3   0.374553D+00 -0.199960D+01  0.264266D+00  0.212751D+01  0.164027D+00
                61            62            63            64            65 
      1  -0.281213D-01  0.460441D+00 -0.244370D+01 -0.146035D+01 -0.288112D+01
      2   0.460441D+00  0.234303D+01  0.670493D+00 -0.288112D+01 -0.184806D+01
      3  -0.244370D+01  0.670493D+00 -0.213001D+01 -0.998148D+00 -0.896389D+00
                66            67            68            69            70 
      1  -0.998148D+00 -0.380865D+01 -0.218757D+01 -0.710618D+00 -0.126775D+01
      2  -0.896389D+00 -0.218757D+01 -0.115763D+02 -0.232232D+01 -0.618482D+00
      3  -0.368158D+00 -0.710618D+00 -0.232232D+01 -0.257239D+01 -0.108601D+01
                71            72            73            74            75 
      1  -0.618482D+00 -0.108601D+01  0.250303D+00 -0.242031D+00 -0.115056D+01
      2  -0.181169D+01 -0.324957D+01 -0.242031D+00  0.885739D-01  0.352337D-01
      3  -0.324957D+01 -0.246832D+01 -0.115056D+01  0.352337D-01 -0.379198D-01
                76            77            78            79            80 
      1  -0.529639D+00 -0.900076D-01  0.160859D+00 -0.179576D+01 -0.409345D-01
      2  -0.900076D-01  0.148922D+01 -0.131975D+01 -0.409345D-01 -0.167923D+01
      3   0.160859D+00 -0.131975D+01  0.134828D+01 -0.266438D+00  0.186642D+01
                81            82            83            84            85 
      1  -0.266438D+00 -0.104405D+01 -0.414733D+00 -0.111385D+01 -0.921433D+00
      2   0.186642D+01 -0.414733D+00 -0.326295D+00 -0.839876D-01 -0.472470D+00
      3  -0.815836D+01 -0.111385D+01 -0.839876D-01 -0.186238D+00 -0.235951D+00
                86            87            88            89            90 
      1  -0.472470D+00 -0.235951D+00 -0.159205D+01 -0.234603D+00 -0.447401D-01
      2  -0.566236D+01 -0.233393D+01 -0.234603D+00 -0.235837D+01 -0.234250D+01
      3  -0.233393D+01 -0.263725D+01 -0.447401D-01 -0.234250D+01 -0.218924D+01
                91            92            93            94            95 
      1   0.131365D+01  0.187125D+01 -0.573239D-02  0.444387D+01  0.417581D+00
      2   0.187125D+01  0.416110D+00  0.198017D+00  0.417581D+00  0.402369D+01
      3  -0.573239D-02  0.198017D+00 -0.329243D+00 -0.367176D+00  0.916908D+00
                96            97            98            99           100 
      1  -0.367176D+00  0.650872D+00 -0.316143D-01 -0.684520D+00  0.515953D+00
      2   0.916908D+00 -0.316143D-01  0.854361D+00  0.603024D+00  0.355527D+00
      3   0.101644D+01 -0.684520D+00  0.603024D+00  0.826397D+00  0.105259D+01
               101           102           103           104           105 
      1   0.355527D+00  0.105259D+01  0.270303D+00  0.586628D+00  0.625586D-01
      2   0.970194D+00  0.334692D+00  0.586628D+00  0.300609D+00  0.727360D+00
      3   0.334692D+00  0.168612D+01  0.625586D-01  0.727360D+00  0.107522D+00
               106           107           108           109           110 
      1   0.217840D+01 -0.158321D-01  0.181227D+01  0.108269D+01  0.155390D+01
      2  -0.158321D-01  0.195381D+01  0.720936D+00  0.155390D+01  0.282818D+01
      3   0.181227D+01  0.720936D+00  0.474354D+01 -0.316501D+00 -0.545732D+00
               111           112           113           114           115 
      1  -0.316501D+00  0.227132D+01  0.233669D+01 -0.576125D+00 -0.109153D+01
      2  -0.545732D+00  0.233669D+01  0.580444D+01 -0.123385D+01 -0.909033D+00
      3   0.652322D+00 -0.576125D+00 -0.123385D+01  0.127729D+01  0.690260D+00
               116           117           118           119           120 
      1  -0.909033D+00  0.690260D+00 -0.505928D+01 -0.212588D+01  0.176114D+01
      2  -0.262700D+01  0.141473D+01 -0.212588D+01 -0.173460D+01  0.134528D+01
      3   0.141473D+01 -0.113279D+01  0.176114D+01  0.134528D+01 -0.269449D+01
               121           122           123           124           125 
      1  -0.211805D+01 -0.118113D+01  0.867776D+00  0.113689D+01  0.849357D+00
      2  -0.118113D+01 -0.218553D+01  0.158018D+01  0.849357D+00  0.114313D+01
      3   0.867776D+00  0.158018D+01 -0.113360D+01 -0.162328D+01 -0.774439D+00
               126           127           128           129           130 
      1  -0.162328D+01  0.479991D+01 -0.341778D+01  0.184195D+01 -0.328615D+01
      2  -0.774439D+00 -0.341778D+01  0.325381D+01 -0.114462D+01  0.297673D+01
      3   0.163177D+01  0.184195D+01 -0.114462D+01  0.174182D+01 -0.948501D+00
               131           132           133           134           135 
      1   0.297673D+01 -0.948501D+00  0.888298D+00 -0.561248D+00  0.111935D+01
      2  -0.429281D+01  0.185120D+01 -0.561248D+00  0.105223D+01 -0.830249D+00
      3   0.185120D+01 -0.126972D+01  0.111935D+01 -0.830249D+00  0.823601D+00
               136           137           138           139           140 
      1   0.804043D+00  0.231540D+00  0.125847D+01  0.873281D+00  0.578785D+00
      2   0.231540D+00  0.827981D+00  0.460368D+00  0.578785D+00  0.342482D+01
      3   0.125847D+01  0.460368D+00  0.987947D+00  0.783539D+00  0.203539D+01
               141           142           143           144           145 
      1   0.783539D+00  0.115730D+01  0.338547D+00  0.755120D+00  0.275451D+00
      2   0.203539D+01  0.338547D+00  0.197233D+01  0.196797D+01 -0.816420D-01
      3   0.349364D+01  0.755120D+00  0.196797D+01  0.413967D+01 -0.934706D+00
               146           147           148           149           150 
      1  -0.816420D-01 -0.934706D+00 -0.703436D-01  0.668449D+00 -0.249493D+00
      2   0.126755D+00  0.103758D+00  0.668449D+00  0.110881D+01 -0.126034D+01
      3   0.103758D+00 -0.471952D-02 -0.249493D+00 -0.126034D+01  0.174911D+01
               151           152           153           154           155 
      1  -0.198067D+01 -0.311254D+00  0.172463D+01  0.142285D+01  0.105066D+01
      2  -0.311254D+00 -0.141518D+01  0.199924D+01  0.105066D+01  0.145664D+01
      3   0.172463D+01  0.199924D+01 -0.929170D+01  0.801323D+00  0.423228D+00
               156           157           158           159           160 
      1   0.801323D+00  0.219944D+01  0.208654D+01  0.315922D+00  0.191820D+01
      2   0.423228D+00  0.208654D+01  0.529930D+01  0.151701D+01  0.796458D+00
      3   0.340132D+00  0.315922D+00  0.151701D+01  0.184184D+01  0.610692D+00
               161           162           163           164           165 
      1   0.796458D+00  0.610692D+00  0.794988D+01 -0.303554D+01 -0.409031D-01
      2   0.222240D+01  0.163730D+01 -0.303554D+01  0.226950D+01  0.504361D-01
      3   0.163730D+01  0.103996D+01 -0.409031D-01  0.504361D-01  0.971726D+00
               166           167           168           169           170 
      1  -0.477538D+01  0.280331D+01  0.305241D+00  0.110415D+01 -0.117049D+00
      2   0.280331D+01 -0.247391D+01  0.289715D+00 -0.117049D+00  0.505771D+00
      3   0.305241D+00  0.289715D+00 -0.699702D+00  0.112114D+01 -0.286936D+00
               171 
      1   0.112114D+01
      2  -0.286936D+00
      3  -0.467720D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.312997D+01  0.250031D+01  0.111498D+01  0.315755D+01  0.250268D+01
      2  -0.774829D+01  0.664048D+00  0.127295D+01  0.157523D+01 -0.900915D+01
      3  -0.126021D+02  0.648614D+01  0.316355D+01  0.138926D+02  0.752920D+01
                 6             7             8             9            10 
      1   0.507395D+00  0.187626D+01  0.459551D+01  0.878205D-01  0.334576D+01
      2  -0.919924D+01 -0.717223D+01 -0.977199D+01  0.186761D+02  0.719596D+01
      3   0.567653D+01  0.116095D+01  0.686701D+01  0.861376D+01  0.509251D+01
                11            12            13            14            15 
      1  -0.511899D+00 -0.244982D+00 -0.413962D+00  0.325551D+01 -0.274555D+01
      2  -0.102501D+01  0.396230D+01 -0.177079D+01  0.437824D+01  0.384422D+01
      3  -0.308153D+01 -0.177116D+01  0.393184D+01 -0.620996D+01 -0.540790D+01
                16            17            18            19            20 
      1  -0.595067D-01  0.408642D+01 -0.297722D+01 -0.359414D+01  0.743313D+00
      2  -0.384582D+01  0.448707D+01 -0.408713D+01 -0.110269D+01  0.153692D+01
      3  -0.215998D+01 -0.444537D+01 -0.455774D+01  0.137281D+01 -0.436462D+01
                21            22            23            24            25 
      1  -0.103148D+01  0.268941D+00  0.823606D+00  0.973289D+00 -0.171260D+01
      2   0.136776D+01  0.508385D+01 -0.208563D+01  0.263734D+01 -0.341195D+01
      3   0.711307D+00  0.189040D+01 -0.323677D+01  0.154158D+01 -0.100329D+01
                26            27            28            29            30 
      1   0.559504D+01  0.464690D+00  0.141535D+01  0.958217D+00  0.503995D+00
      2   0.110076D+01 -0.244185D+01 -0.595819D+01  0.239502D+00 -0.442478D+01
      3   0.112957D+01  0.603613D+00 -0.730562D+01 -0.270083D+00 -0.140006D+01
                31            32            33            34            35 
      1   0.276980D+01 -0.526097D+01  0.633681D+01  0.153539D+01  0.643634D+01
      2   0.508277D+01  0.151421D+00 -0.301560D+01 -0.180880D+02 -0.340602D+01
      3   0.105856D+01  0.116767D+02 -0.349800D+00 -0.351234D+01 -0.472750D+00
                36            37            38            39            40 
      1   0.502968D+01 -0.155771D+01 -0.246437D+01  0.207867D+01 -0.185340D+01
      2   0.329945D+01  0.547306D+00  0.247225D+01  0.836610D+01  0.193638D+01
      3   0.855493D+00 -0.391186D+01 -0.144970D+02 -0.122951D+01 -0.115460D+02
                41            42            43            44            45 
      1  -0.159757D+01 -0.360699D+01 -0.917148D-01  0.234882D+01 -0.135019D+01
      2   0.145092D+01  0.108092D+01  0.655259D+01  0.371973D+00 -0.529573D+01
      3  -0.988745D+01 -0.751525D+00 -0.237582D+00  0.253316D+00  0.126762D+01
                46            47            48            49            50 
      1   0.506397D+01 -0.505374D+01 -0.746667D+00 -0.462542D+01 -0.340545D+01
      2  -0.551750D+01 -0.102499D+02  0.100164D+02 -0.854227D+01 -0.115735D+01
      3  -0.812933D+01 -0.460678D+01  0.527777D+01 -0.373944D+00  0.332845D+01
                51            52            53            54            55 
      1  -0.130807D+02 -0.127349D+01 -0.715635D+01 -0.213489D+01  0.714150D+00
      2  -0.285473D+01  0.260933D+01 -0.304189D+01  0.193453D+01  0.541495D+00
      3   0.572803D+01  0.402747D+01  0.498703D+01  0.404338D+01 -0.298708D+01
                56            57            58            59            60 
      1  -0.329376D+01  0.616433D+01 -0.341204D+01 -0.708507D+01 -0.484161D+01
      2   0.177053D+01  0.612924D+01 -0.476216D+00  0.457926D+00 -0.153027D+01
      3  -0.102736D+02 -0.170523D+01  0.193484D+01 -0.328303D+01  0.197869D+01
                61            62            63            64            65 
      1   0.690891D+01  0.407045D+01  0.472365D+01  0.426363D+00  0.114520D+01
      2  -0.187384D+01 -0.104439D+01  0.207917D+01  0.131744D+01  0.305213D+00
      3   0.422896D+00  0.372485D+01 -0.599501D+01 -0.139894D+01 -0.438408D+01
                66            67            68            69            70 
      1  -0.224256D+01  0.539431D-01  0.480481D+01 -0.972615D+01 -0.459682D+00
      2   0.476970D+01 -0.550940D+01  0.169463D+01  0.537654D+01  0.120492D+01
      3  -0.571736D+00  0.861800D+01 -0.196887D+02 -0.219033D+01  0.133334D+01
                71            72            73            74            75 
      1   0.198844D+01 -0.190883D+01  0.643776D+00 -0.329658D+00  0.160373D+00
      2   0.598428D+01  0.277410D+01  0.118444D+01 -0.673078D-01 -0.527503D-01
      3  -0.225445D+01 -0.563453D+01  0.607189D+00 -0.375836D+00 -0.567484D+00
                76            77            78            79            80 
      1  -0.254309D+00 -0.170418D+01 -0.625870D+00  0.198603D+00  0.276115D+01
      2  -0.189407D+00  0.441524D+00 -0.429791D+00 -0.363168D+01 -0.147877D-02
      3   0.144853D+01  0.433762D+00 -0.293632D+00 -0.934565D+00 -0.515986D+00
                81            82            83            84            85 
      1   0.224898D+01 -0.917171D+00  0.137791D+00 -0.162042D+00 -0.148917D+00
      2   0.851174D+00 -0.257450D+01 -0.272870D+00 -0.862218D-01 -0.164020D+01
      3   0.136916D+00  0.222988D+01  0.572777D+00  0.118361D+01  0.449863D+01
                86            87            88            89            90 
      1   0.100988D+01 -0.319961D+01 -0.808456D-02  0.689341D+00 -0.106150D+01
      2  -0.278142D+01 -0.304973D+01 -0.277466D+01 -0.265991D+01 -0.240778D+01
      3   0.781099D+01  0.350536D+01  0.243513D+01  0.334388D+01  0.320721D+01
                91            92            93            94            95 
      1   0.147028D+01  0.156039D+01  0.139923D+01  0.186197D+01  0.207179D+01
      2  -0.234897D+01 -0.210638D+01 -0.156041D+01 -0.228922D+01 -0.387408D+01
      3   0.642474D+01  0.838476D+01  0.603092D+00  0.120645D+02  0.156929D+02
                96            97            98            99           100 
      1  -0.372300D+00  0.118841D+01  0.162557D+01 -0.220603D+00 -0.295824D+01
      2  -0.328827D+01 -0.213389D+01 -0.222142D+01 -0.106924D+01 -0.189746D+01
      3   0.264000D+01  0.122424D+01  0.209519D+01  0.249597D+00  0.228381D+01
               101           102           103           104           105 
      1   0.107182D+01 -0.516303D+01  0.105037D+01 -0.211854D+01  0.389539D+00
      2   0.680305D-01 -0.971417D+00  0.288862D+00 -0.104863D+01  0.673563D+00
      3  -0.210283D+00  0.257709D+01  0.510325D+00  0.122162D+01  0.135101D-01
               106           107           108           109           110 
      1  -0.569866D+01  0.140668D+01 -0.110005D+02  0.119091D+01  0.241702D+01
      2  -0.385408D+01  0.442389D+00 -0.208800D+01  0.311942D+00 -0.287384D+00
      3   0.542335D+01 -0.410748D+00  0.501702D+01  0.412979D+01  0.301341D+01
               111           112           113           114           115 
      1  -0.264974D+01  0.279279D+01  0.458173D+01 -0.412136D+01 -0.244933D+01
      2   0.146405D+00 -0.260152D+00 -0.434904D+00  0.564564D+00 -0.995259D+00
      3  -0.106186D+01  0.740886D+01  0.587142D+01 -0.193238D+01 -0.377168D+01
               116           117           118           119           120 
      1  -0.301115D+01  0.287724D+01 -0.198654D+01 -0.225853D+01 -0.181847D+01
      2   0.211684D+00 -0.240229D+00  0.125360D+02  0.483410D+01 -0.348229D+01
      3  -0.272007D+01  0.207858D+01  0.104557D+02  0.294875D+01 -0.303978D+01
               121           122           123           124           125 
      1  -0.124669D+01 -0.167708D+01  0.175326D+00 -0.725774D+00  0.229784D+01
      2   0.493846D+01  0.355945D+01 -0.196990D+01 -0.502065D+01 -0.232358D+01
      3   0.551197D+01  0.330311D+01 -0.280226D+01 -0.214338D+01 -0.169645D+01
               126           127           128           129           130 
      1   0.592072D+00 -0.320139D+01  0.443931D+01  0.155069D+01  0.350254D+01
      2   0.393064D+01 -0.498055D+01  0.337542D+01  0.211925D+01  0.437417D+01
      3   0.303988D+01 -0.129921D+01 -0.273818D+01 -0.122582D+00  0.148810D+01
               131           132           133           134           135 
      1  -0.431648D+01 -0.503866D+00  0.179983D+00  0.187963D+01 -0.217207D+00
      2  -0.178855D+01 -0.138767D+01 -0.131572D+01  0.786438D-01 -0.200308D+00
      3   0.354557D+01 -0.165964D+01 -0.681827D+00 -0.116139D+01 -0.151229D+00
               136           137           138           139           140 
      1   0.174366D+01  0.200483D+01  0.145885D+01  0.120444D+01  0.111704D+02
      2   0.462968D+00  0.180560D+00  0.406946D+00 -0.159867D+01  0.245922D+01
      3  -0.569967D+00 -0.207993D+01 -0.170988D+01  0.565897D+00 -0.690282D+01
               141           142           143           144           145 
      1   0.525612D+01  0.142850D+01  0.806467D+01  0.678334D+01  0.204398D+00
      2   0.409831D+01 -0.246204D+01  0.207465D+01  0.448706D+01 -0.264587D+01
      3  -0.342472D+01 -0.794163D+00 -0.340605D+01 -0.347660D+01  0.308769D+00
               146           147           148           149           150 
      1  -0.601821D-02 -0.124675D+00 -0.388944D+00 -0.145273D+01 -0.449403D+00
      2  -0.470094D-01  0.252755D+00  0.116858D-01 -0.233047D+01  0.481884D+01
      3  -0.106618D+01 -0.289509D+00 -0.523963D+00 -0.305986D+01  0.297867D+01
               151           152           153           154           155 
      1  -0.989491D-01  0.362008D+01  0.895441D+00 -0.113162D+01 -0.129176D+01
      2  -0.953984D+00  0.509598D+01 -0.231355D+02  0.345635D+01  0.193608D+01
      3  -0.331874D+00  0.398724D+01 -0.524893D+01 -0.315905D+01 -0.442725D+01
               156           157           158           159           160 
      1  -0.102475D+01 -0.146353D+01 -0.420068D+01 -0.425748D+01 -0.812996D+00
      2   0.233080D+01  0.175631D+01  0.669792D+01  0.653471D+01  0.107233D+01
      3  -0.818490D+00 -0.242057D+01 -0.163760D+02 -0.506825D+01 -0.588158D+00
               161           162           163           164           165 
      1  -0.105172D+01 -0.233624D+01  0.225817D+01 -0.176847D+01  0.777266D+00
      2   0.539019D+01  0.404860D+01  0.625027D+01 -0.260635D+01  0.504581D+01
      3  -0.738060D+01 -0.475267D+01  0.850659D+01 -0.951750D+01  0.547529D-01
               166           167           168           169           170 
      1  -0.188528D+01  0.187796D+01 -0.171615D+01  0.260762D-01  0.240236D+00
      2  -0.277139D+01  0.321891D+01 -0.290381D+01  0.276327D+01 -0.713944D+00
      3  -0.662724D+01  0.817789D+01 -0.114750D+01  0.131455D+00 -0.192423D+01
               171 
      1   0.220313D+00
      2  -0.149563D+00
      3   0.703649D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114819D+02  0.249950D+02 -0.118271D+02  0.301074D+02 -0.170911D+02
      2   0.272194D+01 -0.139781D+02  0.543657D+01 -0.165866D+02  0.245140D+01
      3   0.875997D+01 -0.110169D+02  0.639053D+01 -0.135208D+02  0.146397D+02
      4   0.267309D+02 -0.150647D+02 -0.528131D+01 -0.212431D+02 -0.116253D+02
      5  -0.105594D+02 -0.855187D+01  0.440701D+01 -0.101853D+02 -0.101756D+02
      6  -0.497277D+01  0.225940D+01  0.106109D+00  0.173895D+01 -0.912928D+00
                 6             7             8             9            10 
      1  -0.889431D+01 -0.151221D+02 -0.627382D+01  0.120629D+02 -0.638499D+01
      2  -0.283470D+01  0.404909D+01 -0.472915D+01  0.783162D+01  0.184030D+01
      3   0.117290D+02  0.110730D+02  0.110030D+02 -0.198945D+02  0.454469D+01
      4  -0.118380D+02 -0.430285D+01 -0.136413D+02 -0.131824D+02 -0.117155D+02
      5  -0.137482D+02  0.102867D+00 -0.139906D+02  0.280785D+02  0.112939D+02
      6  -0.426007D+00 -0.112492D+01 -0.566877D+00  0.597145D+01 -0.455830D+01
                11            12            13            14            15 
      1  -0.108072D+02  0.101161D+02 -0.148560D+02  0.106916D+02  0.688534D+01
      2   0.519502D+01 -0.678823D+01  0.791430D+01 -0.879707D+01 -0.100880D+02
      3   0.561222D+01 -0.332788D+01  0.694167D+01 -0.189457D+01  0.320263D+01
      4   0.468159D+01  0.178199D+01  0.102913D+02  0.558596D+01  0.595659D+01
      5   0.374446D+01 -0.166707D+01  0.680935D+01  0.653372D+01  0.739056D+01
      6   0.123921D+01 -0.800009D+00  0.642135D+00 -0.100054D+02 -0.384778D+01
                16            17            18            19            20 
      1   0.133294D+02  0.525054D+01  0.488686D+01 -0.884543D+01 -0.447505D+00
      2  -0.669648D+01 -0.382286D+01 -0.487213D+01  0.101569D+02 -0.225155D+00
      3  -0.663296D+01 -0.142768D+01 -0.147247D-01 -0.131145D+01  0.672660D+00
      4   0.464115D+01  0.551809D+01  0.891990D+01 -0.138932D+01  0.347537D+01
      5  -0.593029D+00  0.897036D+01 -0.102443D+02 -0.227217D+01 -0.233161D+00
      6   0.586407D+00 -0.603946D+01  0.146024D+01  0.325711D+01 -0.275647D+01
                21            22            23            24            25 
      1   0.208044D+00  0.631909D+01  0.253663D+01 -0.149958D+01 -0.429557D+01
      2   0.182142D+01 -0.251186D+01 -0.535141D+01 -0.342036D+01  0.322320D+01
      3  -0.202946D+01 -0.380723D+01  0.281478D+01  0.491994D+01  0.107237D+01
      4   0.123695D+01 -0.702687D+01  0.582980D+01  0.643407D+00 -0.415403D+01
      5   0.468750D+00 -0.246848D+01  0.483922D+00  0.351143D+01 -0.946032D+00
      6   0.884480D+00 -0.962946D+00  0.722461D+00 -0.522607D+01 -0.441469D+00
                26            27            28            29            30 
      1  -0.106707D+01  0.105541D+02 -0.573219D+01  0.102878D+02  0.142166D+01
      2  -0.909573D+01  0.819564D+01  0.133846D+00 -0.799187D+01 -0.582761D+01
      3   0.101628D+02 -0.187497D+02  0.559835D+01 -0.229590D+01  0.440595D+01
      4   0.843814D+00  0.129874D+00  0.474963D+01 -0.800103D+01 -0.276390D+01
      5  -0.122053D+01  0.557988D+00  0.326732D+01 -0.296747D+01 -0.682889D+01
      6  -0.351009D+01  0.960000D+01 -0.150723D+01 -0.220628D+01 -0.135113D+01
                31            32            33            34            35 
      1   0.155722D+01  0.873057D+01  0.291052D+01  0.303251D+01 -0.538075D+00
      2  -0.341634D+01 -0.173196D+02  0.383711D+01 -0.398943D+01 -0.286085D+01
      3   0.185912D+01  0.858898D+01 -0.674763D+01  0.956925D+00  0.339893D+01
      4  -0.158597D+02 -0.226019D+02 -0.582050D+01 -0.866215D+01 -0.298566D+01
      5  -0.860388D+01 -0.752681D+01 -0.550534D+01 -0.110373D+00 -0.376946D+01
      6  -0.288195D+01 -0.814383D+01 -0.102777D+02 -0.301978D+01  0.151119D+01
                36            37            38            39            40 
      1  -0.384619D+01  0.497251D+02 -0.693469D+01 -0.508664D+01  0.681137D+01
      2  -0.332943D+01 -0.293441D+02  0.114754D+01  0.628649D+01 -0.759503D+01
      3   0.717562D+01 -0.203810D+02  0.578715D+01 -0.119985D+01  0.783661D+00
      4  -0.469584D+01 -0.161029D+02  0.158410D+02  0.224995D+01  0.161464D+02
      5   0.374730D+01 -0.913611D+01  0.144524D+01  0.157296D+02  0.148838D+00
      6  -0.702698D+01 -0.512637D+00 -0.280572D+00 -0.264634D+01 -0.162262D+01
                41            42            43            44            45 
      1   0.112423D+02 -0.421441D+00 -0.288100D+01  0.237751D+01  0.612588D+01
      2  -0.426158D+01 -0.122804D+01  0.276626D+01 -0.140554D+01 -0.100096D+02
      3  -0.698067D+01  0.164948D+01  0.114743D+00 -0.971963D+00  0.388369D+01
      4  -0.106481D+01 -0.644923D+00  0.382014D+01 -0.701455D+00 -0.346649D+01
      5  -0.532881D+00 -0.587661D+00  0.153167D+02 -0.394164D+01 -0.116556D+02
      6  -0.113057D+01  0.618513D+01 -0.117013D+01  0.442314D+01  0.145666D+01
                46            47            48            49            50 
      1   0.855682D+01  0.148328D+02 -0.963159D+01  0.140717D+02 -0.322388D+01
      2  -0.960253D+01 -0.437443D+00  0.575725D+01  0.170398D+00  0.645601D+01
      3   0.104571D+01 -0.143953D+02  0.387434D+01 -0.142421D+02 -0.323213D+01
      4   0.128302D+02 -0.186527D+02  0.631276D+01 -0.191295D+02  0.445346D+01
      5  -0.668789D+01  0.105252D+02 -0.647793D+01  0.904005D+01 -0.142243D+02
      6   0.175943D+02 -0.563712D+01 -0.333117D+01 -0.630584D+01  0.237180D+01
                51            52            53            54            55 
      1   0.335560D+01 -0.834542D+01  0.203758D+01 -0.653115D+01  0.152602D+02
      2   0.129538D+02  0.455449D+01  0.103796D+02  0.254603D+01 -0.112805D+02
      3  -0.163094D+02  0.379093D+01 -0.124172D+02  0.398512D+01 -0.397966D+01
      4  -0.908175D+01  0.378886D+01 -0.595348D+01 -0.955037D+01 -0.197276D+01
      5  -0.106942D+02 -0.754616D+01 -0.111022D+02  0.591621D+01 -0.109673D+01
      6  -0.844597D+01 -0.362723D+01 -0.539563D+01 -0.115545D+02 -0.695007D+00
                56            57            58            59            60 
      1   0.701685D+01 -0.340749D-01  0.519224D+01 -0.103021D+02 -0.657023D+01
      2  -0.133964D+02  0.397930D+01 -0.124342D+02  0.139389D+02  0.100933D+02
      3   0.637954D+01 -0.394522D+01  0.724192D+01 -0.363681D+01 -0.352304D+01
      4  -0.216757D+01 -0.123383D+01  0.291495D+01 -0.137243D+02  0.368821D+00
      5   0.179383D+00  0.249566D+01  0.657764D+00 -0.811788D+00 -0.255145D+01
      6   0.241771D+01 -0.819200D+01  0.169851D+01  0.125604D+02  0.619596D+01
                61            62            63            64            65 
      1  -0.226090D+01 -0.725943D+01 -0.897399D-01  0.102714D+02  0.585203D+01
      2   0.671923D+01  0.133948D+02  0.154960D+01 -0.211502D+01  0.116964D+01
      3  -0.445832D+01 -0.613535D+01 -0.145986D+01 -0.815640D+01 -0.702166D+01
      4   0.305473D-01  0.156479D+01 -0.857404D+01  0.161425D+02  0.190720D+02
      5   0.340271D+01 -0.219718D+01 -0.386162D+01  0.696196D+01  0.570080D+01
      6  -0.945241D+01  0.348917D+01 -0.396225D+01  0.351948D+01  0.321039D+01
                66            67            68            69            70 
      1   0.138757D+01  0.813661D+01 -0.217135D+02 -0.586107D+01  0.258646D+01
      2  -0.849080D+00  0.131956D+01  0.393822D+02  0.213515D+01 -0.101376D+01
      3  -0.538488D+00 -0.945617D+01 -0.176687D+02  0.372592D+01 -0.157270D+01
      4   0.471997D+01  0.221141D+02  0.444887D+02  0.957020D+01  0.457683D+01
      5   0.926221D+01  0.612689D+01  0.113764D+02  0.112516D+02  0.100761D+02
      6   0.425983D+01  0.533690D+01  0.131136D+02  0.165276D+02  0.508189D+01
                71            72            73            74            75 
      1  -0.500079D+01 -0.599311D+01  0.888056D+00  0.637274D+00 -0.343753D+00
      2   0.253770D+01  0.661631D+00 -0.384523D+01 -0.508773D+00 -0.425144D+00
      3   0.246309D+01  0.533148D+01  0.295718D+01 -0.128501D+00  0.768897D+00
      4   0.681938D+01  0.125115D+02 -0.220919D+00  0.168300D+01 -0.193923D+01
      5   0.127836D+02  0.103969D+02  0.299830D+00 -0.137893D+01  0.559145D+01
      6   0.142600D+02  0.952941D+01 -0.220202D+01  0.782722D+00 -0.180274D+00
                76            77            78            79            80 
      1   0.220307D+00 -0.543850D+01  0.363566D+01  0.477928D+00  0.557647D+01
      2   0.287052D+00  0.171467D+01 -0.515044D+00  0.149563D+00  0.471982D+00
      3  -0.507359D+00  0.372383D+01 -0.312062D+01 -0.627491D+00 -0.604845D+01
      4   0.259187D+01 -0.114603D+01  0.592183D+00 -0.546486D+00  0.897082D+00
      5  -0.656939D+00  0.952874D-01 -0.807897D+00  0.545945D+01  0.855578D-01
      6   0.929940D+00 -0.439432D+01  0.878645D+01  0.250631D+00  0.784718D+01
                81            82            83            84            85 
      1  -0.190129D+02 -0.266807D+00 -0.966004D+00 -0.278127D+01 -0.295174D+01
      2  -0.136333D+02  0.221518D+01  0.757026D+00  0.194160D+01  0.236380D+01
      3   0.326462D+02 -0.194837D+01  0.208979D+00  0.839679D+00  0.587941D+00
      4  -0.493495D+00 -0.155765D+00  0.332361D+01  0.149363D+01  0.234032D+01
      5   0.138838D+01 -0.200073D+01  0.134333D+01  0.210461D+01  0.950243D+00
      6  -0.139338D+02  0.301428D+01  0.530799D+00  0.675934D+00  0.780035D+00
                86            87            88            89            90 
      1  -0.137525D+02 -0.529665D+01 -0.442822D+01 -0.631376D+01 -0.746692D+01
      2   0.183029D+02  0.700264D+01  0.242694D+01  0.439997D+01  0.238177D+01
      3  -0.455040D+01 -0.170599D+01  0.200128D+01  0.191379D+01  0.508515D+01
      4  -0.114128D+02 -0.463174D+01 -0.452241D-01 -0.484408D+01 -0.438867D+01
      5  -0.460154D+01 -0.610222D+01  0.263768D+01 -0.466490D+01 -0.393258D+01
      6   0.124402D+02  0.100997D+02  0.104284D+01  0.106508D+02  0.941908D+01
                91            92            93            94            95 
      1  -0.114093D+02 -0.358405D+01  0.167822D+00 -0.159712D+02 -0.575980D+01
      2   0.102226D+02  0.588880D+00 -0.634397D-01  0.936266D+01  0.808556D+01
      3   0.118671D+01  0.299517D+01 -0.104382D+00  0.660852D+01 -0.232576D+01
      4  -0.385414D+01  0.540835D+00 -0.113272D+00  0.618140D+01 -0.149552D+02
      5   0.903889D+00  0.495236D+00 -0.141672D+01  0.269581D+01 -0.288826D+01
      6   0.727655D+00 -0.438709D+00 -0.209710D+01 -0.742058D+00  0.270915D+01
                96            97            98            99           100 
      1  -0.187180D-01 -0.138927D+01 -0.139767D+01 -0.745017D+00 -0.849079D+00
      2   0.589297D+00  0.119346D+01  0.113505D+01 -0.307098D+00 -0.183150D+00
      3  -0.570579D+00  0.195805D+00  0.262625D+00  0.105212D+01  0.103223D+01
      4  -0.385330D+01  0.855117D+00 -0.300587D+01 -0.308666D+01  0.173223D+01
      5  -0.486794D+01  0.332781D+01 -0.265404D+01 -0.263109D+01  0.215812D+01
      6   0.167335D+01 -0.163586D+01  0.271814D+01  0.169379D+01  0.315103D+01
               101           102           103           104           105 
      1  -0.242534D+01 -0.168455D+01 -0.109267D+00 -0.168606D+01 -0.132018D+01
      2   0.363820D+01 -0.693745D+00  0.123784D+01  0.156108D+01  0.177749D+01
      3  -0.121287D+01  0.237830D+01 -0.112857D+01  0.124977D+00 -0.457307D+00
      4   0.340346D+01  0.293498D+01  0.297795D+01  0.153571D+01  0.166808D+01
      5   0.724785D+00  0.330525D+01  0.569515D+00  0.177600D+01  0.815604D+00
      6   0.269091D+01  0.636144D+01  0.201339D+01  0.145755D+01  0.319858D+01
               106           107           108           109           110 
      1  -0.144358D+01 -0.411243D+01 -0.729165D+01 -0.158375D+01 -0.693216D+01
      2  -0.230813D+01  0.506665D+01 -0.444735D+01  0.565653D+01  0.142690D+02
      3   0.375171D+01 -0.954223D+00  0.117390D+02 -0.407278D+01 -0.733686D+01
      4   0.599270D+01  0.212787D+01  0.522034D+01  0.481081D+01  0.888735D+01
      5   0.371347D+01  0.924171D+00  0.484070D+01 -0.145848D+01 -0.912825D+00
      6   0.593875D+01  0.523483D+01  0.152262D+02 -0.229548D+01 -0.372918D+01
               111           112           113           114           115 
      1   0.532412D+00 -0.556970D+01 -0.158568D+02  0.356313D+01  0.233407D+01
      2  -0.261773D+01  0.112268D+02  0.300789D+02 -0.691189D+01 -0.417967D+01
      3   0.208532D+01 -0.565709D+01 -0.142220D+02  0.334875D+01  0.184560D+01
      4  -0.169979D+01  0.928772D+01  0.110576D+02 -0.313087D+01 -0.317789D+01
      5   0.190834D+01  0.218373D+00 -0.136134D+01  0.784509D+00  0.180350D+01
      6   0.331280D+01 -0.363759D+01 -0.833269D+01  0.629290D+01  0.382113D+01
               116           117           118           119           120 
      1   0.731346D+01 -0.469853D+01 -0.100626D+02 -0.970282D+01  0.109416D+02
      2  -0.119808D+02  0.543905D+01  0.577327D+01  0.641971D+01 -0.103696D+01
      3   0.466736D+01 -0.740518D+00  0.428930D+01  0.328311D+01 -0.990462D+01
      4  -0.437886D+01  0.326676D+01  0.751732D+01  0.467677D+01 -0.246520D+01
      5   0.140111D+01 -0.999515D+00 -0.999485D+01 -0.429136D+01  0.358433D+01
      6   0.924958D+01 -0.607979D+01 -0.826748D+01 -0.802866D+01  0.892921D+01
               121           122           123           124           125 
      1  -0.824909D+01 -0.915851D+01  0.638971D+01  0.756310D+01  0.543963D+01
      2   0.556901D+01  0.813742D+01 -0.367481D+01 -0.596302D+00 -0.272851D+01
      3   0.268008D+01  0.102109D+01 -0.271490D+01 -0.696680D+01 -0.271113D+01
      4   0.578061D+01  0.794735D+00  0.128923D+00 -0.187459D+01 -0.653776D+00
      5  -0.496790D+01 -0.497031D+00  0.164602D+01  0.553481D+01  0.246583D+01
      6  -0.538503D+01 -0.903949D+01  0.842178D+01  0.646784D+01  0.718017D+01
               126           127           128           129           130 
      1  -0.846658D+01  0.169041D+02 -0.735845D+01  0.216554D+01 -0.724759D+01
      2  -0.710600D+00 -0.397268D+01 -0.314525D+01 -0.315723D+01 -0.324973D+01
      3   0.917718D+01 -0.129314D+02  0.105037D+02  0.991686D+00  0.104973D+02
      4   0.321188D+01 -0.234534D+02  0.209165D+02 -0.808613D+01  0.202149D+02
      5  -0.322106D+01  0.174462D+02 -0.121004D+02  0.121411D+02 -0.113952D+02
      6  -0.619168D+01 -0.113099D+02  0.109217D+02 -0.717753D+01  0.942729D+01
               131           132           133           134           135 
      1  -0.695038D+00  0.150387D+01  0.501570D+00  0.110727D+01  0.409134D+00
      2   0.111442D+02 -0.181629D+01 -0.225108D+01 -0.106498D+00 -0.168407D+01
      3  -0.104492D+02  0.312417D+00  0.174951D+01 -0.100077D+01  0.127494D+01
      4  -0.226628D+02  0.821161D+01 -0.389934D+01  0.447032D+01 -0.579104D+01
      5   0.120014D+02 -0.701950D+01  0.894863D+01 -0.555140D+01  0.602669D+01
      6  -0.140792D+02  0.100450D+02 -0.538662D+01  0.778644D+01 -0.460729D+01
               136           137           138           139           140 
      1   0.147171D+01  0.915246D+00  0.256793D+01  0.235004D+01 -0.216835D+01
      2  -0.328081D+01 -0.292868D+01 -0.479962D+01 -0.444820D+01 -0.421779D+01
      3   0.180910D+01  0.201344D+01  0.223169D+01  0.209817D+01  0.638614D+01
      4   0.119106D+01  0.536645D+01  0.831706D+00  0.466121D+01  0.829912D+01
      5   0.619715D+01  0.273948D+01  0.843611D+01  0.583533D+01  0.824276D+01
      6   0.455878D+00  0.300431D+01  0.153616D+01  0.235899D+01  0.117362D+02
               141           142           143           144           145 
      1  -0.513789D+01  0.213112D+01 -0.310548D+01 -0.793278D+01  0.180510D+01
      2  -0.102489D+02 -0.452696D+01 -0.714902D+01 -0.136078D+02 -0.357392D+01
      3   0.153868D+02  0.239584D+01  0.102545D+02  0.215406D+02  0.176882D+01
      4   0.591705D+01  0.487829D+00  0.496995D+01  0.540087D+01 -0.669188D+00
      5   0.121890D+02  0.769880D+01  0.674964D+01  0.137904D+02 -0.454779D+01
      6   0.798438D+01  0.143292D+01  0.879708D+01  0.696342D+01 -0.797086D+00
               146           147           148           149           150 
      1  -0.577021D+00 -0.585107D+01 -0.882033D+00 -0.712442D+00  0.302745D+01
      2   0.286967D+00  0.296816D+01 -0.649477D-01 -0.647592D+00  0.167528D+01
      3   0.290054D+00  0.288291D+01  0.946980D+00  0.136003D+01 -0.470273D+01
      4   0.262698D+01 -0.110539D+01  0.538800D+01  0.535955D+01 -0.582988D+01
      5  -0.777512D+00  0.663227D+01 -0.202985D+01 -0.563189D+01  0.918080D+01
      6  -0.190259D+00  0.391370D+00 -0.148414D+01 -0.367590D+01  0.809829D+01
               151           152           153           154           155 
      1  -0.814717D+01  0.310752D+01 -0.138888D+02  0.101869D+02  0.517474D+01
      2   0.840123D+01  0.180602D+01 -0.193136D+02 -0.190806D+01  0.125132D+00
      3  -0.254058D+00 -0.491354D+01  0.332024D+02 -0.827888D+01 -0.529987D+01
      4  -0.292650D+01 -0.677450D+01  0.858359D+01  0.684803D+01  0.126826D+02
      5   0.147948D+02  0.930479D+01 -0.445388D+02  0.375237D+01  0.309035D+01
      6   0.111863D+01  0.792560D+01 -0.843859D+01  0.130023D+01 -0.515303D+00
               156           157           158           159           160 
      1   0.442766D+01  0.103724D+02  0.579207D+01  0.177319D+01  0.103408D+02
      2  -0.131847D+01 -0.198446D+01  0.981849D+01  0.350244D+01 -0.418594D+01
      3  -0.310918D+01 -0.838796D+01 -0.156106D+02 -0.527563D+01 -0.615487D+01
      4   0.410190D+01  0.169237D+02  0.300691D+02  0.852051D+01  0.677751D+01
      5   0.313953D+01  0.224388D+01  0.822012D+01  0.105998D+02  0.443531D+01
      6   0.443697D+00 -0.249906D+00  0.531847D+00  0.352605D+01  0.142401D+01
               161           162           163           164           165 
      1   0.285795D+01 -0.513795D-02  0.570966D+02 -0.201145D+02  0.730077D+00
      2   0.298211D+01 -0.229745D+00 -0.273895D+02  0.908352D+01  0.673309D+00
      3  -0.584006D+01  0.234883D+00 -0.297071D+02  0.110309D+02 -0.140339D+01
      4   0.124733D+02  0.871125D+01 -0.231223D+02  0.176862D+02  0.463725D+00
      5   0.909393D+01  0.653748D+01 -0.645686D+01  0.266468D+01  0.839870D+01
      6   0.329362D+01  0.239464D+01  0.409795D+01 -0.327458D+01 -0.112550D+01
               166           167           168           169           170 
      1  -0.292328D+02  0.145803D+02  0.101594D+01  0.730306D+01 -0.959059D+00
      2   0.127019D+02 -0.250631D+01 -0.909098D+00 -0.244890D+01  0.745410D+00
      3   0.165309D+02 -0.120740D+02 -0.106840D+00 -0.485416D+01  0.213649D+00
      4   0.221073D+02 -0.183842D+02  0.132334D+01 -0.138160D+01  0.325436D+01
      5   0.501149D+01 -0.478115D+00 -0.548504D+01  0.860544D+01 -0.279056D+01
      6  -0.358429D+01  0.351071D+01  0.240261D+01 -0.141018D+01  0.212286D+01
               171 
      1   0.445344D+01
      2  -0.393680D+01
      3  -0.516646D+00
      4  -0.272689D+01
      5  -0.212632D+01
      6  -0.480458D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:23:03 2021, MaxMem=  5368709120 cpu:            9860.1 elap:            1235.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50771 -19.45605 -14.64217 -10.56821 -10.49491
 Alpha  occ. eigenvalues --  -10.45534 -10.44026 -10.43781  -1.24301  -1.15223
 Alpha  occ. eigenvalues --   -1.06432  -0.95083  -0.84936  -0.83745  -0.73408
 Alpha  occ. eigenvalues --   -0.71050  -0.67223  -0.64057  -0.60287  -0.58342
 Alpha  occ. eigenvalues --   -0.57463  -0.55717  -0.53532  -0.53033  -0.50815
 Alpha  occ. eigenvalues --   -0.48857  -0.46248  -0.45260  -0.44954  -0.42799
 Alpha  occ. eigenvalues --   -0.41514  -0.37027
 Alpha virt. eigenvalues --   -0.02091  -0.00581  -0.00442   0.00396   0.01716
 Alpha virt. eigenvalues --    0.01814   0.02295   0.02602   0.03100   0.04636
 Alpha virt. eigenvalues --    0.05181   0.06560   0.07265   0.08131   0.08826
 Alpha virt. eigenvalues --    0.08933   0.09943   0.10920   0.11223   0.11485
 Alpha virt. eigenvalues --    0.12116   0.12437   0.12870   0.13194   0.13921
 Alpha virt. eigenvalues --    0.14745   0.15359   0.15636   0.15927   0.16271
 Alpha virt. eigenvalues --    0.16762   0.18058   0.18337   0.20224   0.21860
 Alpha virt. eigenvalues --    0.22480   0.23096   0.23786   0.24111   0.25040
 Alpha virt. eigenvalues --    0.25854   0.26507   0.26915   0.28094   0.28425
 Alpha virt. eigenvalues --    0.29253   0.30596   0.30665   0.31487   0.31855
 Alpha virt. eigenvalues --    0.32850   0.32921   0.34128   0.34534   0.35922
 Alpha virt. eigenvalues --    0.36520   0.37243   0.37630   0.38949   0.39489
 Alpha virt. eigenvalues --    0.40785   0.41160   0.41847   0.42309   0.42713
 Alpha virt. eigenvalues --    0.43160   0.43542   0.44665   0.45237   0.46076
 Alpha virt. eigenvalues --    0.47631   0.48648   0.48990   0.49303   0.50385
 Alpha virt. eigenvalues --    0.50685   0.51817   0.52505   0.52999   0.53480
 Alpha virt. eigenvalues --    0.54881   0.55155   0.56032   0.56197   0.57146
 Alpha virt. eigenvalues --    0.58496   0.59182   0.59976   0.61122   0.62879
 Alpha virt. eigenvalues --    0.63012   0.63755   0.64515   0.65078   0.66056
 Alpha virt. eigenvalues --    0.66921   0.67649   0.67717   0.69182   0.69837
 Alpha virt. eigenvalues --    0.70925   0.71708   0.72059   0.73500   0.74797
 Alpha virt. eigenvalues --    0.75224   0.76149   0.77472   0.78155   0.78841
 Alpha virt. eigenvalues --    0.79597   0.80103   0.81708   0.83831   0.84234
 Alpha virt. eigenvalues --    0.85752   0.85991   0.87271   0.88345   0.89221
 Alpha virt. eigenvalues --    0.91273   0.92100   0.93580   0.95500   0.96070
 Alpha virt. eigenvalues --    0.98721   1.00384   1.01316   1.03394   1.04311
 Alpha virt. eigenvalues --    1.05973   1.07807   1.07925   1.09659   1.11001
 Alpha virt. eigenvalues --    1.12921   1.14488   1.16217   1.17197   1.18215
 Alpha virt. eigenvalues --    1.19590   1.20625   1.21757   1.22704   1.27068
 Alpha virt. eigenvalues --    1.27892   1.28504   1.31694   1.34418   1.35702
 Alpha virt. eigenvalues --    1.38038   1.38144   1.40258   1.43367   1.44487
 Alpha virt. eigenvalues --    1.46839   1.47531   1.50598   1.53188   1.54895
 Alpha virt. eigenvalues --    1.58231   1.59953   1.60461   1.62153   1.65227
 Alpha virt. eigenvalues --    1.66625   1.67531   1.70362   1.72435   1.74182
 Alpha virt. eigenvalues --    1.75591   1.75852   1.79944   1.80412   1.82734
 Alpha virt. eigenvalues --    1.86082   1.87216   1.87428   1.88489   1.91593
 Alpha virt. eigenvalues --    1.92320   1.92789   1.93568   1.95890   1.97519
 Alpha virt. eigenvalues --    1.99651   2.01087   2.03162   2.04150   2.06517
 Alpha virt. eigenvalues --    2.07522   2.09382   2.11359   2.11853   2.14811
 Alpha virt. eigenvalues --    2.15915   2.17564   2.19139   2.20191   2.21325
 Alpha virt. eigenvalues --    2.22830   2.24581   2.26240   2.28661   2.29242
 Alpha virt. eigenvalues --    2.33120   2.34950   2.35834   2.36753   2.38611
 Alpha virt. eigenvalues --    2.39625   2.41771   2.44187   2.46742   2.50499
 Alpha virt. eigenvalues --    2.52990   2.56028   2.57978   2.58543   2.59533
 Alpha virt. eigenvalues --    2.62173   2.65944   2.68425   2.69757   2.73552
 Alpha virt. eigenvalues --    2.74285   2.76905   2.80409   2.82362   2.84980
 Alpha virt. eigenvalues --    2.91385   2.96962   3.00891   3.04411   3.07678
 Alpha virt. eigenvalues --    3.11385   3.18333   3.29452   3.35461   3.45287
 Alpha virt. eigenvalues --    3.47673   3.48245   3.50412   3.53024   3.55209
 Alpha virt. eigenvalues --    3.57389   3.63909   3.69429   3.82950   3.92627
 Alpha virt. eigenvalues --    4.04030
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.210077  -0.203004   0.125312  -0.256356   0.027440  -0.246511
     2  C   -0.203004   8.903252  -1.182248   0.186954  -0.050889  -0.358411
     3  C    0.125312  -1.182248   9.554096  -1.647225   0.228314  -0.382740
     4  C   -0.256356   0.186954  -1.647225   7.505584  -0.046621  -0.032192
     5  O    0.027440  -0.050889   0.228314  -0.046621   7.905955   0.008661
     6  C   -0.246511  -0.358411  -0.382740  -0.032192   0.008661   4.985282
     7  N    0.004575  -0.039394  -0.069059  -0.008291  -0.022572  -0.017828
     8  O    0.020867   0.029665  -0.038269   0.604491  -0.058735   0.003703
     9  H   -0.082861   0.388093  -1.019294  -0.195883   0.007653   0.138778
    10  H   -0.099363  -1.726438   0.354212  -0.175095   0.008800   0.283031
    11  H   -0.014870   0.040026  -0.197960   0.020880   0.236609  -0.014359
    12  H    0.003982  -0.044513  -0.201588   0.034019  -0.000362   0.017421
    13  H   -0.012749  -0.018891   0.226551  -0.051002   0.003977   0.000595
    14  H   -0.080901   0.365968  -0.255294  -0.015389   0.004510   0.169275
    15  H    0.112028   0.046303   0.057945  -0.020909   0.000445   0.122658
    16  H   -0.119481  -0.267943   0.002815   0.072521  -0.003403   0.324918
    17  H    0.055908   0.330159  -0.190663   0.036584   0.000092   0.011856
    18  H    0.396118  -0.272505   0.101897  -0.017322   0.002646  -0.125400
    19  H    0.093406   0.206508   0.078810  -0.024548   0.000451   0.018509
               7          8          9         10         11         12
     1  C    0.004575   0.020867  -0.082861  -0.099363  -0.014870   0.003982
     2  C   -0.039394   0.029665   0.388093  -1.726438   0.040026  -0.044513
     3  C   -0.069059  -0.038269  -1.019294   0.354212  -0.197960  -0.201588
     4  C   -0.008291   0.604491  -0.195883  -0.175095   0.020880   0.034019
     5  O   -0.022572  -0.058735   0.007653   0.008800   0.236609  -0.000362
     6  C   -0.017828   0.003703   0.138778   0.283031  -0.014359   0.017421
     7  N    6.324331  -0.007968   0.157119   0.051019   0.077886   0.405832
     8  O   -0.007968   7.669768   0.009218  -0.013635   0.006915   0.003942
     9  H    0.157119   0.009218   2.008228  -0.009309   0.010199   0.039786
    10  H    0.051019  -0.013635  -0.009309   2.938216   0.006457  -0.012367
    11  H    0.077886   0.006915   0.010199   0.006457   0.675095  -0.012340
    12  H    0.405832   0.003942   0.039786  -0.012367  -0.012340   0.951965
    13  H    0.168608   0.000825  -0.123754  -0.001955   0.000381  -0.192786
    14  H    0.052873   0.009132   0.016054  -0.031833  -0.000482  -0.010756
    15  H    0.004659   0.007108   0.004798  -0.095097   0.001059   0.003127
    16  H   -0.045759  -0.011134   0.004803   0.138116  -0.003007  -0.009688
    17  H    0.049324  -0.000885  -0.040544  -0.080670  -0.000522   0.008916
    18  H    0.005987   0.000415  -0.013941   0.137471   0.001242  -0.008001
    19  H   -0.033222   0.001702   0.013986  -0.112416  -0.001286  -0.009264
              13         14         15         16         17         18
     1  C   -0.012749  -0.080901   0.112028  -0.119481   0.055908   0.396118
     2  C   -0.018891   0.365968   0.046303  -0.267943   0.330159  -0.272505
     3  C    0.226551  -0.255294   0.057945   0.002815  -0.190663   0.101897
     4  C   -0.051002  -0.015389  -0.020909   0.072521   0.036584  -0.017322
     5  O    0.003977   0.004510   0.000445  -0.003403   0.000092   0.002646
     6  C    0.000595   0.169275   0.122658   0.324918   0.011856  -0.125400
     7  N    0.168608   0.052873   0.004659  -0.045759   0.049324   0.005987
     8  O    0.000825   0.009132   0.007108  -0.011134  -0.000885   0.000415
     9  H   -0.123754   0.016054   0.004798   0.004803  -0.040544  -0.013941
    10  H   -0.001955  -0.031833  -0.095097   0.138116  -0.080670   0.137471
    11  H    0.000381  -0.000482   0.001059  -0.003007  -0.000522   0.001242
    12  H   -0.192786  -0.010756   0.003127  -0.009688   0.008916  -0.008001
    13  H    0.944911   0.002179  -0.001214  -0.000924   0.002754  -0.016456
    14  H    0.002179   1.791452  -0.449143  -0.370386  -0.018429   0.005092
    15  H   -0.001214  -0.449143   1.836768  -0.449710   0.031797  -0.006338
    16  H   -0.000924  -0.370386  -0.449710   2.057814   0.000269  -0.037453
    17  H    0.002754  -0.018429   0.031797   0.000269   1.758589  -0.399307
    18  H   -0.016456   0.005092  -0.006338  -0.037453  -0.399307   1.908017
    19  H    0.003382   0.015528  -0.030442  -0.004336  -0.397872  -0.441453
              19
     1  C    0.093406
     2  C    0.206508
     3  C    0.078810
     4  C   -0.024548
     5  O    0.000451
     6  C    0.018509
     7  N   -0.033222
     8  O    0.001702
     9  H    0.013986
    10  H   -0.112416
    11  H   -0.001286
    12  H   -0.009264
    13  H    0.003382
    14  H    0.015528
    15  H   -0.030442
    16  H   -0.004336
    17  H   -0.397872
    18  H   -0.441453
    19  H    1.747619
 Mulliken charges:
               1
     1  C    1.066382
     2  C   -0.332695
     3  C    0.454388
     4  C    0.029799
     5  O   -0.252972
     6  C    1.092753
     7  N   -0.058121
     8  O   -0.237124
     9  H   -0.313132
    10  H   -0.559143
    11  H    0.168076
    12  H    0.032674
    13  H    0.065567
    14  H   -0.199451
    15  H   -0.175841
    16  H   -0.278031
    17  H   -0.157356
    18  H   -0.220711
    19  H   -0.125062
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.563253
     2  C   -0.891838
     3  C    0.141256
     4  C    0.029799
     5  O   -0.084895
     6  C    0.439430
     7  N    0.040119
     8  O   -0.237124
 Electronic spatial extent (au):  <R**2>=           1055.4286
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.1670    Y=              3.4813    Z=              0.3958  Tot=              5.4443
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.5114   YY=            -50.1649   ZZ=            -48.0442
   XY=             -3.9136   XZ=             -0.3912   YZ=             -1.8164
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.6046   YY=              1.7419   ZZ=              3.8627
   XY=             -3.9136   XZ=             -0.3912   YZ=             -1.8164
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.7435  YYY=             16.3887  ZZZ=             -1.2962  XYY=              6.8261
  XXY=              5.9389  XXZ=              0.4273  XZZ=             -2.8512  YZZ=              4.7319
  YYZ=              3.2792  XYZ=              2.7063
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -866.0911 YYYY=           -332.6844 ZZZZ=           -212.3209 XXXY=            -21.3178
 XXXZ=              2.6613 YYYX=             -3.5324 YYYZ=             -4.3520 ZZZX=             -1.2919
 ZZZY=              5.0376 XXYY=           -194.4910 XXZZ=           -173.4490 YYZZ=            -89.6017
 XXYZ=             -0.6988 YYXZ=             -4.6157 ZZXY=              0.2674
 N-N= 4.085379247680D+02 E-N=-1.755464084221D+03  KE= 3.994023435577D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:23:03 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54786413D+00 1.36513306D+00 1.64282711D-01
 Polarizability= 8.07011080D+01-4.57700373D-03 7.52912426D+01
                -1.85131322D+00 1.27549900D+00 6.61927954D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9699    0.9651       -0.0486   -0.0518
 2     -0.9699   -0.9651       -0.7204   -0.7197       -2.8443   -2.8424
 3      0.0486    0.0518        7.7228    7.7241        0.7161    0.7197
 4      0.7204    0.7197       -0.0000    0.0000        0.0530    0.0518
 5     -4.8785   -4.8818       -0.0530   -0.0518        0.9656    0.9651
 6     -0.7161   -0.7197       -0.9656   -0.9651        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.8953   -2.8953       -0.1553   -0.1553
 2      2.1592    2.1592        0.0000    0.0000       -0.1553   -0.1553
 3      2.1592    2.1592       -2.8953   -2.8953        0.0000    0.0000
 4     -2.8953   -2.8953       -2.1592   -2.1592       -8.5271   -8.5271
 5      0.1553    0.1553       23.1723   23.1723        2.1592    2.1592
 6    -14.6453  -14.6453       -0.1553   -0.1553        2.8953    2.8953
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1743    0.0000       -4.3681   -3.8605        0.3573    0.2071
 2      3.8855    3.8605        2.8782    2.8790       11.7260   11.3694
 3     -0.5014   -0.2071      -30.9469  -30.8965       -2.5700   -2.8790
 4     -2.8000   -2.8790        0.0762    0.0000       -0.5167   -0.2071
 5     19.4821   19.5270        0.3065    0.2071       -3.9762   -3.8605
 6      2.9883    2.8790        3.8194    3.8605        0.0814    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0323    0.0000        7.0579    7.0446       -1.9529   -2.3147
 2     -6.8108   -7.0446       16.4710   16.4024       17.1481   17.0877
 3      2.7672    2.3147       15.9175   15.6065      -17.6428  -16.4024
 4    -16.6456  -16.4024       -0.0341    0.0000        1.9098    2.3147
 5    -32.6526  -32.6941       -2.4831   -2.3147        7.8376    7.0446
 6     16.6379   16.4024       -7.0145   -7.0446       -0.1891    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.8243  -10.9716        6.3444    5.7557       -2.2050   -1.9274
 2    -36.9070  -36.7683        8.5754    8.0876       -2.1756   -1.9274
 3    -36.7577  -36.7683        6.3374    5.7557       -2.2744   -1.9133
 4     -2.3655   -2.3319       25.8599   25.7967       19.6120   19.7033
 5      0.1768    0.0141       31.5346   31.4551      -26.3820  -25.7967
 6    -51.5630  -51.1584       -0.5915   -0.0141        3.5641    2.3319
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.6347   -7.7866   -0.0011    0.0003    0.0004    3.9761
 Low frequencies ---   56.7213   83.2177  184.4170
 Diagonal vibrational polarizability:
       22.1512913      14.3772525      19.8281115
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     56.6886                83.2172               184.4165
 Red. masses --      4.8505                 2.7862                 3.4542
 Frc consts  --      0.0092                 0.0114                 0.0692
 IR Inten    --      0.6144                 3.1886                 7.5720
 RamAct Fr= 1--      0.8562                 0.5029                 0.4283
  Dep-P Fr= 1--      0.7415                 0.7432                 0.7147
  Dep-U Fr= 1--      0.8515                 0.8527                 0.8336
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0003
 Beta2  Fr= 1--      0.1215                 0.0715                 0.0595
 AlphaG Fr= 1--     -0.0008                -0.0006                 0.0010
 Gamma2 Fr= 1--      0.2077                 0.2821                 0.3077
 Delta2 Fr= 1--      0.0939                 0.1863                 0.0672
 Raman1 Fr= 1--       3.425                  2.012                  1.713
 ROA1   Fr= 1--      22.944                 33.043                 31.690
 CID1   Fr= 1--       6.699                 16.426                 18.498
 Raman2 Fr= 1--       1.458                  0.858                  0.714
 ROA2   Fr= 1--       4.233                  5.279                  6.848
 CID2   Fr= 1--       2.903                  6.156                  9.590
 Raman3 Fr= 1--       2.916                  1.715                  1.428
 ROA3   Fr= 1--      22.944                 33.043                 31.690
 CID3   Fr= 1--       7.867                 19.264                 22.189
 RC180  Fr= 1--       0.703                  0.705                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.05    -0.03  -0.14  -0.15     0.03  -0.15  -0.03
     2   6    -0.02   0.00   0.04    -0.01  -0.01   0.06    -0.07   0.05  -0.07
     3   6    -0.00  -0.00  -0.07     0.00   0.02   0.07    -0.01   0.14  -0.04
     4   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04     0.07   0.02   0.01
     5   8     0.13  -0.13   0.31    -0.05  -0.02  -0.07     0.00  -0.09   0.03
     6   6    -0.10   0.12   0.08     0.12   0.16   0.10    -0.21   0.01  -0.07
     7   7     0.01   0.03  -0.13    -0.03  -0.03   0.15    -0.04   0.09   0.04
     8   8    -0.06   0.06  -0.26     0.01   0.02  -0.12     0.23  -0.02   0.09
     9   1     0.03  -0.09  -0.09     0.04   0.08   0.09    -0.03   0.20  -0.03
    10   1    -0.01  -0.04   0.11    -0.12  -0.06   0.18    -0.18   0.08  -0.08
    11   1     0.15  -0.15   0.34    -0.05  -0.04   0.02    -0.11  -0.03   0.01
    12   1     0.27   0.16  -0.26    -0.07  -0.09   0.17    -0.10   0.02   0.07
    13   1    -0.27   0.08  -0.30    -0.01   0.01   0.22     0.01   0.12   0.12
    14   1    -0.12   0.16   0.08     0.08   0.36   0.28    -0.35   0.28  -0.09
    15   1    -0.12   0.11   0.17     0.02   0.04   0.08    -0.43  -0.25  -0.06
    16   1    -0.11   0.16   0.03     0.35   0.21  -0.04     0.05  -0.06  -0.07
    17   1     0.07  -0.16   0.03    -0.10  -0.33  -0.19     0.12  -0.21  -0.05
    18   1    -0.01  -0.01  -0.03     0.04  -0.04  -0.34     0.13  -0.15  -0.07
    19   1    -0.00  -0.05   0.16    -0.04  -0.13  -0.09    -0.08  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    223.9321               246.5923               270.7235
 Red. masses --      1.1411                 1.0783                 1.9389
 Frc consts  --      0.0337                 0.0386                 0.0837
 IR Inten    --      0.8081                 0.2752                 4.9524
 RamAct Fr= 1--      0.0818                 0.0917                 0.3845
  Dep-P Fr= 1--      0.7240                 0.4908                 0.2920
  Dep-U Fr= 1--      0.8399                 0.6585                 0.4520
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0040
 Beta2  Fr= 1--      0.0115                 0.0101                 0.0290
 AlphaG Fr= 1--      0.0003                -0.0012                 0.0008
 Gamma2 Fr= 1--      0.0087                -0.0509                -0.2702
 Delta2 Fr= 1--      0.0111                 0.0108                -0.0762
 Raman1 Fr= 1--       0.327                  0.367                  1.538
 ROA1   Fr= 1--       1.192                 -4.542                -28.381
 CID1   Fr= 1--       3.643                -12.376                -18.454
 Raman2 Fr= 1--       0.137                  0.121                  0.348
 ROA2   Fr= 1--       0.120                 -1.308                 -5.876
 CID2   Fr= 1--       0.872                -10.823                -16.908
 Raman3 Fr= 1--       0.275                  0.242                  0.695
 ROA3   Fr= 1--       1.192                 -4.542                -28.381
 CID3   Fr= 1--       4.337                -18.796                -40.829
 RC180  Fr= 1--       0.680                  0.317                 -0.096
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
     2   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.01  -0.00  -0.07
     3   6     0.00  -0.02  -0.02    -0.01  -0.01  -0.00     0.01  -0.03  -0.07
     4   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.02  -0.03
     5   8     0.02   0.02   0.00    -0.01  -0.00   0.00     0.07   0.02   0.03
     6   6    -0.00  -0.01  -0.02     0.04   0.01   0.00    -0.11   0.15  -0.02
     7   7     0.01  -0.04   0.01    -0.01   0.01  -0.03     0.04  -0.11   0.06
     8   8    -0.04  -0.01   0.02    -0.02  -0.01  -0.01    -0.06  -0.03   0.03
     9   1    -0.01  -0.00  -0.02    -0.00  -0.03  -0.01    -0.01   0.07  -0.05
    10   1     0.05  -0.00  -0.03     0.01   0.01  -0.00     0.08  -0.04  -0.02
    11   1     0.05   0.01  -0.00    -0.01  -0.00  -0.01     0.08   0.03  -0.07
    12   1     0.01  -0.07   0.01    -0.03   0.02  -0.02    -0.29  -0.36   0.21
    13   1     0.02  -0.03   0.03     0.01  -0.01  -0.04     0.43  -0.17   0.33
    14   1    -0.14   0.33   0.08    -0.08   0.35   0.15    -0.11   0.13  -0.07
    15   1    -0.25  -0.30  -0.08    -0.20  -0.29  -0.09    -0.08   0.23   0.17
    16   1     0.37  -0.07  -0.06     0.45  -0.04  -0.06    -0.23   0.24  -0.10
    17   1     0.16  -0.27  -0.06    -0.09   0.40   0.13     0.01   0.20   0.04
    18   1    -0.27   0.27  -0.21     0.20  -0.21   0.33     0.05  -0.06   0.14
    19   1     0.09   0.26   0.41    -0.05  -0.14  -0.31     0.01  -0.00  -0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    292.1084               311.5377               363.4823
 Red. masses --      1.4215                 2.8254                 3.3522
 Frc consts  --      0.0715                 0.1616                 0.2609
 IR Inten    --     13.1367                 7.1082                 9.8872
 RamAct Fr= 1--      0.4849                 0.8482                 0.7380
  Dep-P Fr= 1--      0.2428                 0.3457                 0.4282
  Dep-U Fr= 1--      0.3907                 0.5138                 0.5996
 Alpha2 Fr= 1--      0.0059                 0.0076                 0.0049
 Beta2  Fr= 1--      0.0316                 0.0726                 0.0738
 AlphaG Fr= 1--      0.0107                -0.0044                 0.0020
 Gamma2 Fr= 1--     -0.2358                 0.2770                -0.2901
 Delta2 Fr= 1--     -0.1133                 0.0329                -0.0543
 Raman1 Fr= 1--       1.939                  3.393                  2.952
 ROA1   Fr= 1--     -26.263                 27.650                -29.590
 CID1   Fr= 1--     -13.541                  8.150                -10.024
 Raman2 Fr= 1--       0.379                  0.871                  0.885
 ROA2   Fr= 1--      -4.752                  6.386                 -6.529
 CID2   Fr= 1--     -12.543                  7.327                 -7.377
 Raman3 Fr= 1--       0.758                  1.743                  1.770
 ROA3   Fr= 1--     -26.263                 27.650                -29.590
 CID3   Fr= 1--     -34.657                 15.864                -16.717
 RC180  Fr= 1--      -0.219                  0.028                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.02     0.22  -0.11   0.08    -0.05   0.02  -0.10
     2   6    -0.00   0.01  -0.02     0.06   0.07  -0.07     0.02   0.01   0.08
     3   6     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.04  -0.03  -0.01
     4   6     0.00  -0.02  -0.00    -0.05  -0.02  -0.00     0.07  -0.01  -0.04
     5   8     0.02   0.03  -0.06     0.00   0.03   0.00     0.24   0.12  -0.01
     6   6    -0.07   0.05  -0.00     0.08   0.05  -0.09    -0.05  -0.09   0.07
     7   7     0.06  -0.06   0.10    -0.17  -0.01   0.05    -0.25  -0.02   0.01
     8   8    -0.00  -0.03   0.03    -0.12  -0.02   0.04     0.00  -0.02   0.01
     9   1    -0.02   0.02   0.01    -0.05   0.08  -0.02     0.15  -0.01  -0.00
    10   1     0.01  -0.00  -0.00     0.04   0.08  -0.09    -0.01   0.02   0.08
    11   1     0.15  -0.07   0.15     0.09  -0.01   0.03     0.43   0.08  -0.14
    12   1     0.66   0.06  -0.20    -0.04   0.04  -0.01    -0.36   0.05   0.07
    13   1    -0.56   0.14  -0.17    -0.42   0.13   0.03    -0.33   0.09   0.09
    14   1    -0.10   0.09  -0.04     0.13  -0.04  -0.09    -0.11  -0.06  -0.04
    15   1    -0.10   0.02   0.06     0.15   0.13  -0.10    -0.12  -0.18   0.05
    16   1    -0.07   0.05  -0.01     0.00   0.06  -0.08    -0.03  -0.17   0.17
    17   1    -0.07   0.12   0.00     0.49  -0.16   0.05    -0.29   0.01  -0.09
    18   1     0.02  -0.02   0.04     0.29  -0.13   0.09     0.02   0.04  -0.16
    19   1    -0.01   0.01  -0.12     0.06  -0.26   0.28     0.00   0.05  -0.28
                     10                     11                     12
                      A                      A                      A
 Frequencies --    413.8798               520.2719               545.0772
 Red. masses --      2.7281                 4.4491                 3.9565
 Frc consts  --      0.2753                 0.7095                 0.6926
 IR Inten    --      1.5002                 1.9851                 2.9371
 RamAct Fr= 1--      2.6973                 2.1158                 2.3630
  Dep-P Fr= 1--      0.0819                 0.5754                 0.5094
  Dep-U Fr= 1--      0.1513                 0.7305                 0.6750
 Alpha2 Fr= 1--      0.0494                 0.0069                 0.0112
 Beta2  Fr= 1--      0.0680                 0.2576                 0.2658
 AlphaG Fr= 1--     -0.0176                -0.0076                 0.0246
 Gamma2 Fr= 1--     -0.2691                 1.0464                -1.0240
 Delta2 Fr= 1--     -0.0251                 0.0924                 0.0248
 Raman1 Fr= 1--      10.789                  8.463                  9.452
 ROA1   Fr= 1--     -26.638                103.409                -97.511
 CID1   Fr= 1--      -2.469                 12.219                -10.317
 Raman2 Fr= 1--       0.816                  3.091                  3.190
 ROA2   Fr= 1--      -6.258                 24.374                -24.774
 CID2   Fr= 1--      -7.667                  7.886                 -7.766
 Raman3 Fr= 1--       1.633                  6.182                  6.380
 ROA3   Fr= 1--     -26.638                103.409                -97.511
 CID3   Fr= 1--     -16.316                 16.727                -15.284
 RC180  Fr= 1--      -0.697                  0.461                  0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.05  -0.14     0.05   0.00  -0.01    -0.07  -0.03   0.04
     2   6     0.16   0.08   0.05     0.09  -0.19  -0.10    -0.06  -0.02  -0.08
     3   6     0.05  -0.02   0.10    -0.01  -0.16   0.11    -0.00  -0.01   0.24
     4   6    -0.01  -0.05   0.07     0.02   0.08   0.20     0.07  -0.17   0.16
     5   8    -0.09  -0.05  -0.01    -0.11   0.11   0.03     0.14   0.02  -0.09
     6   6    -0.12  -0.04   0.04    -0.04   0.04  -0.06    -0.03   0.06  -0.13
     7   7     0.03   0.05  -0.02    -0.14  -0.13  -0.05     0.04   0.18   0.02
     8   8    -0.11  -0.00  -0.02     0.19   0.15  -0.08    -0.08  -0.09  -0.10
     9   1    -0.02  -0.07   0.09    -0.20  -0.24   0.09    -0.23  -0.01   0.24
    10   1     0.18   0.09   0.02     0.12  -0.17  -0.12    -0.18   0.04  -0.14
    11   1    -0.17  -0.02  -0.00    -0.05   0.09   0.05     0.22   0.00  -0.18
    12   1    -0.06   0.13   0.03    -0.18   0.09  -0.01    -0.13   0.42   0.12
    13   1     0.14  -0.04  -0.06    -0.28  -0.10  -0.13     0.21  -0.05  -0.16
    14   1    -0.29   0.08  -0.27    -0.13   0.21  -0.07    -0.02   0.11  -0.03
    15   1    -0.29  -0.21   0.20    -0.10   0.04   0.29    -0.01   0.11  -0.01
    16   1    -0.17  -0.14   0.19    -0.11   0.22  -0.28    -0.05   0.18  -0.28
    17   1    -0.03  -0.06  -0.16     0.09   0.12   0.01     0.08   0.02   0.05
    18   1     0.32   0.10  -0.28    -0.15  -0.02   0.11    -0.18  -0.05   0.13
    19   1     0.15   0.01  -0.26     0.16   0.13  -0.02    -0.07  -0.01   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    608.0886               734.0025               810.7170
 Red. masses --      2.6355                 6.0022                 2.4912
 Frc consts  --      0.5742                 1.9053                 0.9647
 IR Inten    --      9.9354                 8.8088                35.9143
 RamAct Fr= 1--      1.3556                 9.0852                 3.8453
  Dep-P Fr= 1--      0.1764                 0.0324                 0.0736
  Dep-U Fr= 1--      0.3000                 0.0628                 0.1371
 Alpha2 Fr= 1--      0.0196                 0.1871                 0.0718
 Beta2  Fr= 1--      0.0678                 0.0951                 0.0879
 AlphaG Fr= 1--      0.0183                 0.0390                -0.0828
 Gamma2 Fr= 1--      0.2148                -0.8555                 0.1045
 Delta2 Fr= 1--      0.1844                -0.1750                 0.0233
 Raman1 Fr= 1--       5.422                 36.341                 15.381
 ROA1   Fr= 1--      26.520                -87.728                 10.780
 CID1   Fr= 1--       4.891                 -2.414                  0.701
 Raman2 Fr= 1--       0.813                  1.141                  1.055
 ROA2   Fr= 1--       3.680                -19.132                  2.322
 CID2   Fr= 1--       4.525                -16.763                  2.202
 Raman3 Fr= 1--       1.626                  2.283                  2.109
 ROA3   Fr= 1--      26.520                -87.728                 10.780
 CID3   Fr= 1--      16.305                -38.432                  5.110
 RC180  Fr= 1--      -0.400                 -0.874                 -0.726
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00    -0.12  -0.03   0.05     0.07   0.01  -0.04
     2   6    -0.07   0.21   0.05    -0.06   0.14   0.04    -0.01  -0.08  -0.07
     3   6    -0.14  -0.06   0.01     0.12  -0.01  -0.03    -0.10   0.05  -0.14
     4   6    -0.04  -0.06   0.10     0.32   0.06   0.22     0.07  -0.04   0.14
     5   8     0.01   0.11   0.00     0.05  -0.19  -0.14     0.03  -0.01  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.05  -0.06     0.00  -0.06   0.15
     7   7     0.03  -0.10  -0.03    -0.04  -0.18  -0.07    -0.07   0.11   0.04
     8   8     0.10  -0.03  -0.08    -0.15   0.23   0.05    -0.02   0.03  -0.02
     9   1    -0.31  -0.15  -0.01    -0.05  -0.16  -0.06    -0.38   0.04  -0.15
    10   1     0.04   0.16   0.08    -0.07   0.12   0.07    -0.03  -0.11  -0.01
    11   1     0.21   0.04  -0.02    -0.39  -0.07   0.13     0.04  -0.09   0.27
    12   1     0.13  -0.25  -0.09    -0.10  -0.19  -0.04     0.34  -0.33  -0.18
    13   1     0.23  -0.23  -0.04    -0.21  -0.00   0.05     0.33  -0.07   0.11
    14   1     0.04  -0.11  -0.05     0.04  -0.08  -0.08     0.04  -0.06   0.26
    15   1     0.01  -0.04  -0.29     0.01   0.02  -0.35     0.04  -0.01   0.16
    16   1     0.07  -0.19   0.25     0.06  -0.11   0.12     0.03  -0.01   0.09
    17   1     0.10  -0.15  -0.04    -0.11  -0.11   0.03     0.12   0.14  -0.02
    18   1     0.34   0.01  -0.12     0.04  -0.02  -0.02    -0.12  -0.01   0.06
    19   1    -0.20  -0.25   0.08    -0.23  -0.16   0.07     0.19   0.15  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.2984               876.6753               901.0411
 Red. masses --      2.1115                 1.2958                 1.8198
 Frc consts  --      0.8784                 0.5868                 0.8705
 IR Inten    --     49.1301                70.6109                59.7516
 RamAct Fr= 1--      4.2824                 1.4226                 3.4370
  Dep-P Fr= 1--      0.0326                 0.5229                 0.7146
  Dep-U Fr= 1--      0.0632                 0.6867                 0.8335
 Alpha2 Fr= 1--      0.0882                 0.0063                 0.0021
 Beta2  Fr= 1--      0.0451                 0.1628                 0.4775
 AlphaG Fr= 1--      0.0071                 0.0437                -0.0035
 Gamma2 Fr= 1--     -0.2988                -0.3495                -0.0002
 Delta2 Fr= 1--      0.0130                -0.1849                -0.1648
 Raman1 Fr= 1--      17.130                  5.691                 13.748
 ROA1   Fr= 1--     -28.265                -39.465                 -5.297
 CID1   Fr= 1--      -1.650                 -6.935                 -0.385
 Raman2 Fr= 1--       0.541                  1.954                  5.730
 ROA2   Fr= 1--      -7.274                 -6.908                  1.313
 CID2   Fr= 1--     -13.442                 -3.536                  0.229
 Raman3 Fr= 1--       1.082                  3.908                 11.460
 ROA3   Fr= 1--     -28.265                -39.465                 -5.297
 CID3   Fr= 1--     -26.116                -10.099                 -0.462
 RC180  Fr= 1--      -0.874                  0.373                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00    -0.04  -0.03   0.04     0.07   0.06  -0.07
     2   6    -0.00   0.01  -0.02     0.05   0.01   0.04    -0.10   0.01  -0.06
     3   6     0.08   0.10  -0.11     0.06  -0.00  -0.03    -0.05   0.01   0.09
     4   6    -0.02  -0.10   0.15    -0.02  -0.02   0.01    -0.01   0.04  -0.06
     5   8    -0.07   0.06   0.02    -0.04   0.04  -0.03     0.03  -0.03  -0.04
     6   6    -0.01  -0.01   0.05     0.01   0.02  -0.06    -0.03  -0.05   0.09
     7   7     0.10  -0.03  -0.04    -0.02   0.04  -0.02     0.06  -0.07  -0.06
     8   8     0.00  -0.05  -0.06     0.01  -0.03   0.00    -0.00   0.02   0.03
     9   1    -0.06   0.09  -0.11     0.08  -0.06  -0.03    -0.09   0.06   0.10
    10   1    -0.07  -0.01   0.03     0.05  -0.00   0.04    -0.15   0.06  -0.11
    11   1     0.07   0.05  -0.20     0.30  -0.28   0.82     0.19  -0.21   0.53
    12   1    -0.43   0.03   0.21    -0.09  -0.07   0.01    -0.41   0.20   0.18
    13   1    -0.46   0.50   0.27     0.15   0.03   0.11    -0.17   0.07  -0.04
    14   1     0.04  -0.07   0.09    -0.03   0.03  -0.16     0.04  -0.04   0.29
    15   1     0.02  -0.01  -0.05    -0.02  -0.01  -0.04     0.05   0.03   0.08
    16   1     0.03  -0.05   0.08    -0.02  -0.01  -0.01     0.03   0.05  -0.05
    17   1    -0.05   0.05   0.02    -0.18  -0.07   0.04     0.32   0.11  -0.07
    18   1    -0.14  -0.01   0.04    -0.04   0.00  -0.02     0.08  -0.01   0.03
    19   1     0.08   0.08  -0.04    -0.00   0.01  -0.04    -0.03  -0.04   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    937.7901               971.2686               998.8809
 Red. masses --      1.1897                 1.4691                 2.0701
 Frc consts  --      0.6165                 0.8165                 1.2169
 IR Inten    --      1.4996                 1.6942                59.9589
 RamAct Fr= 1--      0.5221                 2.8335                 1.9058
  Dep-P Fr= 1--      0.6534                 0.7398                 0.6904
  Dep-U Fr= 1--      0.7904                 0.8505                 0.8168
 Alpha2 Fr= 1--      0.0009                 0.0005                 0.0020
 Beta2  Fr= 1--      0.0688                 0.4016                 0.2594
 AlphaG Fr= 1--      0.0008                -0.0007                -0.0136
 Gamma2 Fr= 1--      0.0982                 0.0541                 1.1960
 Delta2 Fr= 1--      0.1612                -0.0887                 0.7913
 Raman1 Fr= 1--       2.088                 11.334                  7.623
 ROA1   Fr= 1--      14.580                  2.351                140.136
 CID1   Fr= 1--       6.982                  0.207                 18.383
 Raman2 Fr= 1--       0.825                  4.820                  3.113
 ROA2   Fr= 1--       1.066                  2.007                 22.374
 CID2   Fr= 1--       1.292                  0.416                  7.186
 Raman3 Fr= 1--       1.651                  9.639                  6.227
 ROA3   Fr= 1--      14.580                  2.351                140.136
 CID3   Fr= 1--       8.833                  0.244                 22.505
 RC180  Fr= 1--       0.581                  0.701                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.06    -0.12   0.02   0.02    -0.03   0.04  -0.07
     2   6    -0.02  -0.02   0.03     0.07   0.03  -0.06    -0.07   0.05  -0.04
     3   6     0.00   0.01  -0.02    -0.03   0.01  -0.03     0.22   0.00   0.01
     4   6     0.01  -0.01   0.02     0.00   0.00   0.01     0.03  -0.05   0.02
     5   8    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.08   0.06   0.04
     6   6    -0.05  -0.06  -0.03     0.09  -0.06   0.05    -0.03  -0.04   0.05
     7   7     0.00   0.01   0.00     0.02   0.01   0.00    -0.08  -0.02  -0.00
     8   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.02
     9   1     0.02  -0.00  -0.02    -0.08   0.01  -0.03     0.48  -0.03   0.00
    10   1     0.18   0.13  -0.26     0.26   0.08  -0.21    -0.27   0.18  -0.18
    11   1    -0.00   0.00  -0.01     0.00  -0.00  -0.01    -0.03   0.04   0.02
    12   1     0.01  -0.02  -0.00    -0.05  -0.01   0.03     0.26  -0.10  -0.16
    13   1    -0.01   0.02   0.02    -0.06   0.10   0.06     0.22  -0.23  -0.06
    14   1     0.08   0.02   0.42    -0.12   0.18  -0.18     0.02   0.01   0.24
    15   1     0.12   0.16   0.02    -0.06  -0.11   0.56     0.05   0.06   0.09
    16   1     0.09   0.20  -0.41    -0.15   0.09  -0.06     0.01   0.07  -0.11
    17   1    -0.33  -0.25   0.01     0.11  -0.13  -0.03     0.35   0.11  -0.07
    18   1     0.34   0.16  -0.27     0.20  -0.05   0.00     0.02  -0.07   0.10
    19   1    -0.01  -0.06  -0.18    -0.42  -0.31   0.17    -0.19  -0.10   0.18
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1036.9251              1085.8003              1163.0615
 Red. masses --      1.9089                 1.5880                 1.9981
 Frc consts  --      1.2093                 1.1030                 1.5925
 IR Inten    --      6.7725                 8.3868                 2.8017
 RamAct Fr= 1--      4.5550                 3.4154                 2.6592
  Dep-P Fr= 1--      0.4377                 0.7312                 0.4560
  Dep-U Fr= 1--      0.6089                 0.8447                 0.6264
 Alpha2 Fr= 1--      0.0293                 0.0011                 0.0159
 Beta2  Fr= 1--      0.4622                 0.4808                 0.2776
 AlphaG Fr= 1--     -0.0041                -0.0035                -0.0040
 Gamma2 Fr= 1--      0.1059                 0.3592                 0.9154
 Delta2 Fr= 1--     -0.5099                 0.3648                 0.3534
 Raman1 Fr= 1--      18.220                 13.661                 10.637
 ROA1   Fr= 1--      -6.156                 46.158                 99.184
 CID1   Fr= 1--      -0.338                  3.379                  9.325
 Raman2 Fr= 1--       5.547                  5.770                  3.331
 ROA2   Fr= 1--       6.620                  5.702                 19.141
 CID2   Fr= 1--       1.194                  0.988                  5.746
 Raman3 Fr= 1--      11.093                 11.540                  6.663
 ROA3   Fr= 1--      -6.156                 46.158                 99.184
 CID3   Fr= 1--      -0.555                  4.000                 14.887
 RC180  Fr= 1--       0.218                  0.689                  0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.03    -0.05  -0.04   0.05    -0.03  -0.11  -0.01
     2   6     0.03   0.06   0.03     0.08   0.02  -0.13     0.08   0.16  -0.07
     3   6    -0.04   0.18   0.07     0.04   0.03   0.01     0.03  -0.13   0.03
     4   6    -0.00  -0.01  -0.00     0.04  -0.01  -0.04    -0.07   0.04  -0.04
     5   8     0.01   0.01  -0.00    -0.03   0.03   0.02     0.02  -0.03  -0.00
     6   6     0.06  -0.05  -0.02    -0.03   0.03   0.09    -0.05  -0.03   0.05
     7   7    -0.01  -0.12  -0.07    -0.02  -0.05   0.01     0.01   0.05   0.01
     8   8    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.03   0.02
     9   1    -0.05   0.14   0.06    -0.26   0.47   0.10    -0.18  -0.44  -0.04
    10   1    -0.38   0.25  -0.14     0.28  -0.01  -0.15     0.01   0.31  -0.28
    11   1    -0.00   0.01  -0.01    -0.05   0.02   0.08     0.07  -0.03  -0.09
    12   1     0.11  -0.22  -0.14    -0.02   0.31   0.04     0.02  -0.18  -0.01
    13   1     0.06  -0.18  -0.09     0.08  -0.32  -0.29    -0.04   0.23   0.21
    14   1    -0.09   0.17  -0.12     0.07  -0.14   0.14     0.04  -0.02   0.27
    15   1    -0.01  -0.03   0.42     0.02   0.01  -0.22     0.09   0.11  -0.01
    16   1    -0.12   0.12  -0.16     0.10  -0.11   0.23     0.09   0.03  -0.06
    17   1    -0.25   0.04   0.07    -0.23  -0.10   0.04    -0.13   0.12   0.05
    18   1    -0.23   0.02  -0.00    -0.07   0.01  -0.03    -0.40  -0.08   0.10
    19   1     0.29   0.23  -0.12    -0.00  -0.01  -0.07     0.15   0.13   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1200.1039              1204.6202              1218.4120
 Red. masses --      1.9731                 2.0581                 2.4615
 Frc consts  --      1.6743                 1.7596                 2.1529
 IR Inten    --     11.3107                 5.1388                13.8535
 RamAct Fr= 1--      1.5652                 2.9977                 3.7437
  Dep-P Fr= 1--      0.7357                 0.7347                 0.2050
  Dep-U Fr= 1--      0.8477                 0.8470                 0.3402
 Alpha2 Fr= 1--      0.0004                 0.0008                 0.0502
 Beta2  Fr= 1--      0.2211                 0.4232                 0.2123
 AlphaG Fr= 1--      0.0029                -0.0000                 0.0139
 Gamma2 Fr= 1--     -1.7259                 0.0869                 0.3670
 Delta2 Fr= 1--     -0.3999                -0.5778                 0.5077
 Raman1 Fr= 1--       6.261                 11.991                 14.975
 ROA1   Fr= 1--    -178.479                -10.143                 51.481
 CID1   Fr= 1--     -28.507                 -0.846                  3.438
 Raman2 Fr= 1--       2.654                  5.078                  2.547
 ROA2   Fr= 1--     -38.221                  6.709                  4.747
 CID2   Fr= 1--     -14.403                  1.321                  1.863
 Raman3 Fr= 1--       5.307                 10.157                  5.095
 ROA3   Fr= 1--    -178.479                -10.143                 51.481
 CID3   Fr= 1--     -33.629                 -0.999                 10.104
 RC180  Fr= 1--       0.695                  0.694                 -0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.03    -0.03  -0.05  -0.08     0.06   0.00   0.06
     2   6    -0.11   0.08  -0.02     0.07   0.09   0.14    -0.11   0.01  -0.07
     3   6     0.02  -0.12  -0.14    -0.09  -0.02  -0.08    -0.03  -0.09   0.01
     4   6    -0.07   0.01   0.07     0.12  -0.03  -0.03     0.22  -0.03  -0.12
     5   8     0.01  -0.04  -0.02    -0.03   0.05   0.02    -0.06   0.10   0.06
     6   6     0.08  -0.02   0.01    -0.04  -0.08  -0.06     0.06   0.02   0.03
     7   7     0.01   0.01   0.08     0.02  -0.01   0.04     0.02   0.04   0.02
     8   8     0.02   0.05   0.00    -0.01  -0.02  -0.01    -0.02  -0.07  -0.01
     9   1     0.23   0.20  -0.07    -0.06   0.14  -0.05    -0.17  -0.36  -0.06
    10   1    -0.21   0.11  -0.04     0.22  -0.01   0.26    -0.25   0.07  -0.12
    11   1     0.18  -0.08  -0.05    -0.24   0.09   0.15    -0.48   0.20   0.24
    12   1    -0.12   0.52   0.18    -0.11   0.30   0.13    -0.07  -0.03   0.05
    13   1     0.08  -0.27  -0.26    -0.03  -0.15  -0.18    -0.11   0.16   0.09
    14   1    -0.07   0.12  -0.15    -0.01   0.07   0.20    -0.04   0.06  -0.18
    15   1    -0.05  -0.11   0.25     0.11   0.11   0.06    -0.08  -0.12   0.13
    16   1    -0.17   0.04  -0.00     0.03   0.16  -0.40    -0.13  -0.04   0.16
    17   1    -0.17   0.01   0.05     0.21   0.20  -0.03    -0.21  -0.07   0.05
    18   1    -0.06   0.08  -0.09    -0.25  -0.15   0.20     0.04   0.12  -0.15
    19   1     0.18   0.11  -0.13     0.02   0.06   0.17     0.12   0.04  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.0620              1354.2961              1370.4179
 Red. masses --      1.3086                 1.4808                 1.3611
 Frc consts  --      1.2693                 1.6002                 1.5061
 IR Inten    --      0.4390                 0.2728                 1.1677
 RamAct Fr= 1--      4.8935                 4.6731                 5.8247
  Dep-P Fr= 1--      0.6452                 0.6695                 0.7281
  Dep-U Fr= 1--      0.7843                 0.8020                 0.8426
 Alpha2 Fr= 1--      0.0092                 0.0067                 0.0022
 Beta2  Fr= 1--      0.6397                 0.6247                 0.8180
 AlphaG Fr= 1--     -0.0001                 0.0137                -0.0033
 Gamma2 Fr= 1--     -0.4224                -0.5518                -0.2318
 Delta2 Fr= 1--     -0.8994                -0.7423                -0.3765
 Raman1 Fr= 1--      19.574                 18.692                 23.299
 ROA1   Fr= 1--     -69.326                -76.725                -34.296
 CID1   Fr= 1--      -3.542                 -4.105                 -1.472
 Raman2 Fr= 1--       7.676                  7.496                  9.816
 ROA2   Fr= 1--      -2.942                 -7.305                 -2.550
 CID2   Fr= 1--      -0.383                 -0.974                 -0.260
 Raman3 Fr= 1--      15.352                 14.992                 19.633
 ROA3   Fr= 1--     -69.326                -76.725                -34.296
 CID3   Fr= 1--      -4.516                 -5.118                 -1.747
 RC180  Fr= 1--       0.569                  0.604                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.00     0.03  -0.05  -0.03     0.02   0.01   0.04
     2   6     0.02  -0.01  -0.03    -0.17   0.03   0.02     0.02   0.08  -0.12
     3   6    -0.14   0.02   0.01     0.06   0.01   0.05    -0.02  -0.05   0.04
     4   6     0.03  -0.02   0.05    -0.00  -0.00  -0.01    -0.00  -0.00   0.01
     5   8     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6    -0.01   0.04   0.02     0.04  -0.01  -0.01    -0.01  -0.05  -0.02
     7   7     0.01  -0.00  -0.00    -0.02   0.00  -0.03    -0.00   0.02  -0.03
     8   8    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1     0.83  -0.09   0.00    -0.09   0.15   0.08     0.31   0.27   0.12
    10   1     0.27   0.12  -0.32     0.85  -0.13  -0.03    -0.08  -0.39   0.65
    11   1    -0.10   0.03   0.07     0.01  -0.00  -0.01    -0.08   0.03   0.03
    12   1    -0.04  -0.03   0.02     0.07  -0.13  -0.08     0.03  -0.18  -0.06
    13   1    -0.04   0.00  -0.03     0.00   0.09   0.11    -0.03   0.12   0.09
    14   1     0.04  -0.07   0.02    -0.04   0.11  -0.03     0.01   0.06   0.20
    15   1    -0.03  -0.01  -0.06    -0.03  -0.07   0.07     0.05   0.06   0.18
    16   1     0.05  -0.07   0.15    -0.15   0.02   0.01    -0.00  -0.03  -0.04
    17   1    -0.00   0.03   0.01     0.02   0.17   0.02    -0.14  -0.05   0.03
    18   1    -0.10  -0.02   0.01    -0.11  -0.00  -0.04    -0.06   0.08  -0.06
    19   1     0.06   0.04  -0.03     0.14   0.10   0.01    -0.06  -0.09  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1402.7396              1406.8571              1413.4348
 Red. masses --      1.3086                 1.2435                 1.5704
 Frc consts  --      1.5171                 1.4501                 1.8485
 IR Inten    --      8.6364                 5.8646               418.8900
 RamAct Fr= 1--      1.7801                 0.2592                 3.3297
  Dep-P Fr= 1--      0.5559                 0.4792                 0.2104
  Dep-U Fr= 1--      0.7146                 0.6479                 0.3476
 Alpha2 Fr= 1--      0.0066                 0.0014                 0.0440
 Beta2  Fr= 1--      0.2120                 0.0280                 0.1929
 AlphaG Fr= 1--     -0.0046                 0.0005                -0.0212
 Gamma2 Fr= 1--      1.4185                 0.0001                 0.0166
 Delta2 Fr= 1--      0.5215                -0.0087                -0.0390
 Raman1 Fr= 1--       7.120                  1.037                 13.319
 ROA1   Fr= 1--     152.863                 -0.268                  0.343
 CID1   Fr= 1--      21.468                 -0.259                  0.026
 Raman2 Fr= 1--       2.544                  0.336                  2.315
 ROA2   Fr= 1--      29.872                  0.073                  0.710
 CID2   Fr= 1--      11.741                  0.216                  0.307
 Raman3 Fr= 1--       5.088                  0.672                  4.630
 ROA3   Fr= 1--     152.863                 -0.268                  0.343
 CID3   Fr= 1--      30.042                 -0.400                  0.074
 RC180  Fr= 1--       0.429                  0.296                 -0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.09  -0.04   0.04    -0.02  -0.01   0.01
     2   6     0.01  -0.02   0.07     0.01   0.01  -0.02     0.00   0.01  -0.01
     3   6    -0.02  -0.12   0.00    -0.01  -0.03   0.01    -0.05  -0.01   0.02
     4   6     0.02  -0.01   0.00    -0.01   0.00   0.01     0.14  -0.04  -0.06
     5   8    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.11  -0.01   0.03
     6   6     0.01   0.02   0.01     0.00  -0.03   0.09    -0.00  -0.00  -0.01
     7   7     0.01   0.03  -0.05     0.00   0.00  -0.01     0.01   0.02  -0.00
     8   8     0.00   0.01   0.00     0.00  -0.01  -0.00    -0.02   0.05   0.02
     9   1    -0.01   0.75   0.20     0.06   0.13   0.04     0.06   0.00   0.02
    10   1    -0.18   0.23  -0.29    -0.05  -0.02   0.05     0.00  -0.02   0.04
    11   1    -0.02   0.01  -0.00    -0.10   0.04   0.04     0.81  -0.30  -0.38
    12   1     0.06  -0.22  -0.10     0.02  -0.05  -0.02    -0.01  -0.08  -0.00
    13   1    -0.04   0.21   0.17    -0.01   0.06   0.06     0.01  -0.00  -0.02
    14   1    -0.01  -0.02  -0.08    -0.18   0.04  -0.34     0.01   0.01   0.04
    15   1    -0.02  -0.02  -0.07     0.12   0.03  -0.33     0.00   0.01   0.04
    16   1    -0.01   0.02  -0.00     0.04   0.23  -0.29     0.00  -0.03   0.04
    17   1    -0.10  -0.03  -0.02     0.39   0.13   0.04     0.10   0.03   0.01
    18   1    -0.09  -0.04   0.11     0.34   0.05  -0.25     0.10   0.01  -0.07
    19   1    -0.07  -0.07   0.11     0.24   0.29  -0.19     0.08   0.10  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2035              1487.3043              1498.4209
 Red. masses --      1.2454                 1.0441                 1.0504
 Frc consts  --      1.4967                 1.3607                 1.3895
 IR Inten    --     10.8866                 0.3416                 3.6108
 RamAct Fr= 1--      0.6717                 8.1171                 1.8714
  Dep-P Fr= 1--      0.1354                 0.7479                 0.7111
  Dep-U Fr= 1--      0.2385                 0.8558                 0.8312
 Alpha2 Fr= 1--      0.0108                 0.0003                 0.0013
 Beta2  Fr= 1--      0.0267                 1.1577                 0.2592
 AlphaG Fr= 1--     -0.0035                 0.0052                 0.0007
 Gamma2 Fr= 1--      0.1042                 0.0060                 0.3716
 Delta2 Fr= 1--      0.1301                 0.1214                -0.0900
 Raman1 Fr= 1--       2.687                 32.468                  7.486
 ROA1   Fr= 1--      14.164                  4.465                 32.796
 CID1   Fr= 1--       5.271                  0.138                  4.381
 Raman2 Fr= 1--       0.320                 13.893                  3.111
 ROA2   Fr= 1--       1.459                 -0.827                  9.640
 CID2   Fr= 1--       4.553                 -0.060                  3.099
 Raman3 Fr= 1--       0.641                 27.786                  6.222
 ROA3   Fr= 1--      14.164                  4.465                 32.796
 CID3   Fr= 1--      22.099                  0.161                  5.271
 RC180  Fr= 1--      -0.523                  0.712                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03   0.02     0.02  -0.03  -0.00    -0.01  -0.01  -0.04
     2   6     0.01  -0.00   0.02    -0.01  -0.00   0.00     0.02   0.00  -0.03
     3   6     0.01  -0.03  -0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.02   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.03  -0.10    -0.03   0.03   0.01     0.03   0.01   0.01
     7   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   8     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.07   0.14   0.03    -0.01   0.01   0.00     0.05  -0.04  -0.01
    10   1    -0.06   0.07  -0.06    -0.01  -0.02   0.03    -0.05  -0.04   0.06
    11   1    -0.13   0.05   0.06     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    12   1    -0.01   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.00
    13   1    -0.02   0.04   0.02    -0.00  -0.01  -0.02     0.00   0.01   0.03
    14   1     0.20  -0.05   0.39     0.13  -0.43  -0.21     0.09  -0.02   0.17
    15   1    -0.11  -0.00   0.38    -0.12  -0.05   0.27    -0.17  -0.25  -0.18
    16   1    -0.01  -0.28   0.33     0.41   0.04  -0.16    -0.33   0.14  -0.07
    17   1     0.33   0.10   0.02    -0.12   0.45   0.12    -0.37   0.15   0.03
    18   1     0.32  -0.01  -0.16     0.00   0.19  -0.34     0.40  -0.15   0.06
    19   1     0.20   0.27  -0.10    -0.11  -0.12   0.24     0.09   0.23   0.53
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1508.9627              1512.1789              1656.6973
 Red. masses --      1.0588                 1.0417                 1.0924
 Frc consts  --      1.4204                 1.4034                 1.7666
 IR Inten    --      7.9895                11.2712                30.6669
 RamAct Fr= 1--      2.2782                 7.4920                 3.0646
  Dep-P Fr= 1--      0.6817                 0.7236                 0.6204
  Dep-U Fr= 1--      0.8108                 0.8396                 0.7657
 Alpha2 Fr= 1--      0.0027                 0.0034                 0.0073
 Beta2  Fr= 1--      0.3078                 1.0484                 0.3911
 AlphaG Fr= 1--     -0.0010                -0.0008                 0.0002
 Gamma2 Fr= 1--     -0.5546                -0.5099                 0.1467
 Delta2 Fr= 1--     -0.3793                 0.0781                -0.0484
 Raman1 Fr= 1--       9.113                 29.968                 12.258
 ROA1   Fr= 1--     -65.379                -46.453                 12.534
 CID1   Fr= 1--      -7.174                 -1.550                  1.023
 Raman2 Fr= 1--       3.694                 12.581                  4.693
 ROA2   Fr= 1--     -10.276                -12.863                  3.908
 CID2   Fr= 1--      -2.782                 -1.022                  0.833
 Raman3 Fr= 1--       7.388                 25.162                  9.386
 ROA3   Fr= 1--     -65.379                -46.453                 12.534
 CID3   Fr= 1--      -8.849                 -1.846                  1.335
 RC180  Fr= 1--       0.622                  0.679                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.02     0.00  -0.01  -0.02     0.00   0.00   0.00
     2   6     0.04  -0.03   0.02    -0.02  -0.02  -0.01     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
     5   8     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.02  -0.01  -0.01    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.01   0.00  -0.01     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    10   1    -0.07   0.04  -0.06    -0.01  -0.00  -0.05    -0.01  -0.00   0.01
    11   1     0.00  -0.00   0.00    -0.01   0.00   0.01     0.02  -0.01  -0.02
    12   1    -0.00   0.02   0.00    -0.02   0.01   0.02     0.30   0.63  -0.11
    13   1     0.01  -0.01   0.00    -0.01  -0.01  -0.02     0.29   0.22   0.59
    14   1    -0.08   0.33   0.22    -0.26   0.34  -0.16    -0.00  -0.01  -0.01
    15   1     0.07   0.00  -0.26     0.39   0.46   0.08     0.01   0.02   0.02
    16   1    -0.37  -0.03   0.14     0.26  -0.25   0.23     0.04  -0.02   0.01
    17   1     0.07   0.44   0.11    -0.23   0.12   0.03    -0.00  -0.01   0.00
    18   1    -0.17   0.28  -0.41     0.21  -0.06  -0.00    -0.01   0.00   0.00
    19   1    -0.20  -0.27   0.01     0.04   0.11   0.32    -0.00  -0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1835.0240              3020.2286              3024.9985
 Red. masses --      9.7076                 1.0425                 1.0395
 Frc consts  --     19.2594                 5.6028                 5.6044
 IR Inten    --    289.7659                24.7714                26.6826
 RamAct Fr= 1--     10.8279                34.4732               265.2522
  Dep-P Fr= 1--      0.3092                 0.0679                 0.0052
  Dep-U Fr= 1--      0.4723                 0.1272                 0.0104
 Alpha2 Fr= 1--      0.1080                 0.6524                 5.8227
 Beta2  Fr= 1--      0.8524                 0.7309                 0.4617
 AlphaG Fr= 1--      0.1224                 0.1271                 0.1833
 Gamma2 Fr= 1--      1.3446                 0.2367                -0.1692
 Delta2 Fr= 1--      0.4624                -0.2108                 0.4767
 Raman1 Fr= 1--      43.311                137.893               1061.009
 ROA1   Fr= 1--     143.876                 15.976                 -0.985
 CID1   Fr= 1--       3.322                  0.116                 -0.001
 Raman2 Fr= 1--      10.228                  8.771                  5.541
 ROA2   Fr= 1--      28.571                  7.366                 -7.873
 CID2   Fr= 1--       2.793                  0.840                 -1.421
 Raman3 Fr= 1--      20.457                 17.542                 11.081
 ROA3   Fr= 1--     143.876                 15.976                 -0.985
 CID3   Fr= 1--       7.033                  0.911                 -0.089
 RC180  Fr= 1--      -0.055                 -0.746                 -0.979
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.01   0.01  -0.01    -0.03  -0.03   0.01
     2   6    -0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.01   0.01
     3   6    -0.02  -0.04  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6     0.13   0.68   0.19     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.04  -0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00  -0.01  -0.02
     7   7    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.08  -0.42  -0.12     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.02   0.04   0.01    -0.00  -0.01   0.03    -0.00  -0.02   0.11
    10   1     0.06   0.01   0.01    -0.01  -0.07  -0.04    -0.02  -0.10  -0.07
    11   1     0.47  -0.11  -0.20     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   1     0.02  -0.02  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1     0.01   0.01   0.04    -0.30  -0.16   0.10    -0.12  -0.07   0.04
    15   1    -0.01  -0.01   0.01     0.24  -0.22   0.03     0.09  -0.09   0.01
    16   1    -0.03   0.01   0.00     0.14   0.61   0.44     0.06   0.27   0.19
    17   1    -0.01  -0.00   0.00     0.02  -0.05   0.23    -0.03   0.11  -0.50
    18   1    -0.02  -0.00   0.01    -0.05  -0.23  -0.14     0.12   0.53   0.33
    19   1     0.02   0.02  -0.01    -0.14   0.12  -0.03     0.29  -0.26   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3040.3171              3059.6231              3079.7860
 Red. masses --      1.0826                 1.0838                 1.0954
 Frc consts  --      5.8959                 5.9777                 6.1215
 IR Inten    --      8.3639                 1.0313                14.2890
 RamAct Fr= 1--    112.9024                74.4370                30.1139
  Dep-P Fr= 1--      0.1473                 0.7138                 0.6291
  Dep-U Fr= 1--      0.2568                 0.8330                 0.7723
 Alpha2 Fr= 1--      1.7573                 0.0466                 0.0662
 Beta2  Fr= 1--      4.8319                10.3344                 3.8762
 AlphaG Fr= 1--     -0.1781                -0.1068                 0.0088
 Gamma2 Fr= 1--      2.0684               -12.1525                 9.7762
 Delta2 Fr= 1--      2.1056                -7.6459                 9.6792
 Raman1 Fr= 1--     451.610                297.748                120.456
 ROA1   Fr= 1--     265.944              -1411.311               1248.251
 CID1   Fr= 1--       0.589                 -4.740                 10.363
 Raman2 Fr= 1--      57.982                124.013                 46.514
 ROA2   Fr= 1--      32.796               -230.494                157.195
 CID2   Fr= 1--       0.566                 -1.859                  3.380
 Raman3 Fr= 1--     115.965                248.025                 93.028
 ROA3   Fr= 1--     265.944              -1411.311               1248.251
 CID3   Fr= 1--       2.293                 -5.690                 13.418
 RC180  Fr= 1--      -0.486                  0.666                  0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01   0.02   0.03     0.00  -0.04  -0.05
     2   6     0.00   0.01   0.00    -0.01  -0.06  -0.04    -0.00  -0.01  -0.00
     3   6     0.00   0.02  -0.08     0.00   0.00  -0.01     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.01     0.00   0.02  -0.00    -0.00   0.06   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.02  -0.21   0.96    -0.00  -0.02   0.10     0.00  -0.00   0.02
    10   1    -0.02  -0.08  -0.05     0.13   0.70   0.44     0.02   0.08   0.05
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.01   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.04   0.02  -0.01    -0.17  -0.08   0.06    -0.30  -0.14   0.11
    15   1    -0.03   0.02  -0.00     0.18  -0.15   0.03     0.39  -0.32   0.07
    16   1    -0.01  -0.06  -0.04    -0.01  -0.05  -0.04    -0.07  -0.27  -0.20
    17   1     0.00  -0.01   0.05    -0.02   0.07  -0.28     0.03  -0.11   0.42
    18   1    -0.01  -0.06  -0.03    -0.05  -0.21  -0.13     0.10   0.43   0.25
    19   1    -0.05   0.04  -0.01     0.13  -0.11   0.03    -0.16   0.12  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8254              3096.3625              3107.9720
 Red. masses --      1.0959                 1.0996                 1.1023
 Frc consts  --      6.1605                 6.2112                 6.2733
 IR Inten    --     38.5373                34.1554                20.3724
 RamAct Fr= 1--     73.0913               103.3598                69.5738
  Dep-P Fr= 1--      0.1780                 0.4805                 0.7437
  Dep-U Fr= 1--      0.3022                 0.6491                 0.8530
 Alpha2 Fr= 1--      1.0515                 0.5574                 0.0074
 Beta2  Fr= 1--      3.6820                11.1825                 9.8916
 AlphaG Fr= 1--     -0.0975                -0.2630                -0.0153
 Gamma2 Fr= 1--     -0.7886                 3.2627                -4.1143
 Delta2 Fr= 1--     -4.0397                 3.3149                -3.1875
 Raman1 Fr= 1--     292.365                413.439                278.295
 ROA1   Fr= 1--    -204.974                419.297               -496.975
 CID1   Fr= 1--      -0.701                  1.014                 -1.786
 Raman2 Fr= 1--      44.184                134.189                118.699
 ROA2   Fr= 1--      13.391                 51.785                -73.244
 CID2   Fr= 1--       0.303                  0.386                 -0.617
 Raman3 Fr= 1--      88.367                268.379                237.398
 ROA3   Fr= 1--    -204.974                419.297               -496.975
 CID3   Fr= 1--      -2.320                  1.562                 -2.093
 RC180  Fr= 1--      -0.396                  0.298                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.06    -0.05   0.07  -0.03    -0.00   0.01  -0.00
     2   6    -0.01  -0.03  -0.02     0.00   0.02   0.01    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.01   0.02   0.00    -0.09  -0.00   0.01
     7   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.08   0.38   0.24    -0.03  -0.17  -0.10     0.00   0.01   0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.22   0.10  -0.08    -0.14  -0.07   0.05     0.65   0.34  -0.24
    15   1    -0.32   0.27  -0.06     0.08  -0.06   0.02     0.45  -0.41   0.08
    16   1     0.07   0.27   0.21    -0.02  -0.10  -0.08    -0.00   0.08   0.06
    17   1     0.02  -0.12   0.50     0.01  -0.07   0.36     0.00  -0.01   0.03
    18   1     0.07   0.31   0.17    -0.06  -0.19  -0.13    -0.00  -0.01  -0.01
    19   1     0.11  -0.10   0.01     0.64  -0.53   0.11     0.06  -0.05   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3432.5393              3510.7421              3594.0943
 Red. masses --      1.0642                 1.0504                 1.0928
 Frc consts  --      7.3873                 7.6282                 8.3172
 IR Inten    --    250.5299                 0.5864                12.4136
 RamAct Fr= 1--     57.8045                74.0381                42.8194
  Dep-P Fr= 1--      0.0865                 0.0615                 0.5429
  Dep-U Fr= 1--      0.1593                 0.1158                 0.7037
 Alpha2 Fr= 1--      1.0459                 1.4230                 0.1703
 Beta2  Fr= 1--      1.5342                 1.4292                 5.0222
 AlphaG Fr= 1--      0.2599                -0.1044                 0.1142
 Gamma2 Fr= 1--     -0.2961                 3.0414                -1.0203
 Delta2 Fr= 1--      0.4856                 0.5169                -1.1568
 Raman1 Fr= 1--     231.218                296.152                171.278
 ROA1   Fr= 1--     -12.882                308.517               -134.968
 CID1   Fr= 1--      -0.056                  1.042                 -0.788
 Raman2 Fr= 1--      18.411                 17.151                 60.266
 ROA2   Fr= 1--     -10.990                 68.859                -15.233
 CID2   Fr= 1--      -0.597                  4.015                 -0.253
 Raman3 Fr= 1--      36.822                 34.301                120.532
 ROA3   Fr= 1--     -12.882                308.517               -134.968
 CID3   Fr= 1--      -0.350                  8.994                 -1.120
 RC180  Fr= 1--      -0.681                 -0.768                  0.407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.05  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   7    -0.00  -0.00  -0.00    -0.04  -0.02  -0.03    -0.01  -0.05   0.06
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00  -0.02
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.35   0.91   0.20    -0.04  -0.08  -0.02    -0.01  -0.01  -0.00
    12   1     0.03  -0.01   0.06     0.35  -0.07   0.76    -0.25   0.03  -0.47
    13   1     0.03   0.04  -0.04     0.22   0.40  -0.30     0.38   0.61  -0.44
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   592.539251224.836551436.89018
           X            0.99977  -0.02100  -0.00368
           Y            0.02078   0.99844  -0.05181
           Z            0.00476   0.05173   0.99865
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14617     0.07071     0.06028
 Rotational constants (GHZ):           3.04577     1.47345     1.25600
 Zero-point vibrational energy     432526.0 (Joules/Mol)
                                  103.37620 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     81.56   119.73   265.33   322.19   354.79
          (Kelvin)            389.51   420.28   448.23   522.97   595.48
                              748.56   784.24   874.90  1056.07  1166.44
                             1209.00  1261.34  1296.40  1349.27  1397.44
                             1437.17  1491.90  1562.22  1673.39  1726.68
                             1733.18  1753.02  1846.04  1948.53  1971.73
                             2018.23  2024.15  2033.62  2054.87  2139.90
                             2155.89  2171.06  2175.69  2383.62  2640.19
                             4345.44  4352.30  4374.34  4402.12  4431.13
                             4444.13  4454.98  4471.68  4938.66  5051.17
                             5171.10
 
 Zero-point correction=                           0.164740 (Hartree/Particle)
 Thermal correction to Energy=                    0.173945
 Thermal correction to Enthalpy=                  0.174889
 Thermal correction to Gibbs Free Energy=         0.130814
 Sum of electronic and zero-point Energies=           -402.407876
 Sum of electronic and thermal Energies=              -402.398672
 Sum of electronic and thermal Enthalpies=            -402.397727
 Sum of electronic and thermal Free Energies=         -402.441803
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.152             33.640             92.764
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.435
 Vibrational            107.374             27.678             24.141
 Vibration     1          0.596              1.975              4.569
 Vibration     2          0.600              1.961              3.814
 Vibration     3          0.631              1.861              2.283
 Vibration     4          0.649              1.805              1.927
 Vibration     5          0.661              1.768              1.755
 Vibration     6          0.674              1.727              1.592
 Vibration     7          0.687              1.688              1.462
 Vibration     8          0.700              1.652              1.354
 Vibration     9          0.737              1.547              1.107
 Vibration    10          0.777              1.440              0.913
 Vibration    11          0.875              1.205              0.609
 Vibration    12          0.900              1.150              0.554
 Vibration    13          0.967              1.015              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.676033D-60        -60.170032       -138.546620
 Total V=0       0.402948D+16         15.605249         35.932415
 Vib (Bot)       0.371399D-73        -73.430160       -169.079191
 Vib (Bot)    1  0.364411D+01          0.561592          1.293113
 Vib (Bot)    2  0.247351D+01          0.393314          0.905638
 Vib (Bot)    3  0.108744D+01          0.036404          0.083822
 Vib (Bot)    4  0.881852D+00         -0.054604         -0.125731
 Vib (Bot)    5  0.792745D+00         -0.100867         -0.232254
 Vib (Bot)    6  0.713606D+00         -0.146542         -0.337424
 Vib (Bot)    7  0.653910D+00         -0.184482         -0.424786
 Vib (Bot)    8  0.606423D+00         -0.217224         -0.500178
 Vib (Bot)    9  0.503089D+00         -0.298355         -0.686988
 Vib (Bot)   10  0.426228D+00         -0.370358         -0.852782
 Vib (Bot)   11  0.310171D+00         -0.508399         -1.170631
 Vib (Bot)   12  0.289267D+00         -0.538701         -1.240405
 Vib (Bot)   13  0.243510D+00         -0.613482         -1.412595
 Vib (V=0)       0.221372D+03          2.345122          5.399843
 Vib (V=0)    1  0.417826D+01          0.620995          1.429894
 Vib (V=0)    2  0.302354D+01          0.480516          1.106428
 Vib (V=0)    3  0.169688D+01          0.229651          0.528790
 Vib (V=0)    4  0.151374D+01          0.180050          0.414581
 Vib (V=0)    5  0.143725D+01          0.157533          0.362734
 Vib (V=0)    6  0.137134D+01          0.137145          0.315788
 Vib (V=0)    7  0.132316D+01          0.121614          0.280025
 Vib (V=0)    8  0.128597D+01          0.109231          0.251513
 Vib (V=0)    9  0.120929D+01          0.082532          0.190037
 Vib (V=0)   10  0.115702D+01          0.063339          0.145844
 Vib (V=0)   11  0.108839D+01          0.036786          0.084702
 Vib (V=0)   12  0.107765D+01          0.032476          0.074779
 Vib (V=0)   13  0.105615D+01          0.023724          0.054626
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.365557D+06          5.562955         12.809177
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3       33333333                                         1     1 1111111111 11111  1 1                                    
     5  5  4       10000000                                         8     6 5544444433 22221  0 0999 9888  7   6 55   4 3322221      
     9  1  3       09886422                                         3     5 1098210075 81006  8 3973 0741  3   0 42   1 6197428  85  
     4  1  3       86900050                                         5     7 2987837304 38503  6 7918 1701  4   8 50   4 3221744  37  
 
     X  X  X       XXXXXXXX                                         X     X XXXXXXXXXX XXXXX  X XXXX XXXX  X   X XX   X XXXXXXX  XX  
           X        XX                                              X            X               X   XXXX                            
           X                                                        X            X               X   XX                              
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
                                                                    X            X                                                   
                                                                    X            X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015325   -0.000004427    0.000005460
      2        6           0.000011094   -0.000005694    0.000009687
      3        6          -0.000019417   -0.000006989    0.000032086
      4        6           0.000056109    0.000002611   -0.000022541
      5        8          -0.000023973    0.000023698    0.000014541
      6        6           0.000010779    0.000014654   -0.000015470
      7        7          -0.000001345    0.000007251   -0.000005182
      8        8          -0.000013696    0.000007950    0.000012184
      9        1           0.000003608    0.000014301    0.000000578
     10        1           0.000003217   -0.000004792   -0.000010989
     11        1          -0.000002930   -0.000027696   -0.000005252
     12        1           0.000002088   -0.000010682   -0.000013350
     13        1           0.000000380   -0.000004749   -0.000001735
     14        1          -0.000000278    0.000000118    0.000001144
     15        1          -0.000007111   -0.000003138   -0.000002317
     16        1           0.000000880   -0.000000492   -0.000003591
     17        1          -0.000001770   -0.000004311    0.000003105
     18        1          -0.000000908    0.000001860   -0.000001180
     19        1          -0.000001402    0.000000528    0.000002821
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056109 RMS     0.000013029
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866625D+02 -0.103555D+00 -0.193023D+01
      2  -0.103555D+00  0.809778D+02  0.143949D+01
      3  -0.193023D+01  0.143949D+01  0.712143D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.640974D+00 -0.264047D+00  0.116699D+01
      2   0.257871D+01 -0.790287D+01  0.350574D+02
      3   0.587758D+01 -0.186550D+02  0.844420D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.764813D+02 -0.829755D+01 -0.206617D+01
      2  -0.437264D+02  0.850751D+01 -0.152881D+00
      3  -0.327548D+02 -0.209958D+00  0.221905D+01
      4  -0.538009D+01  0.394111D+02 -0.211274D+02
      5   0.603702D+01 -0.230861D+02  0.761794D+02
      6  -0.931714D+01  0.796444D+01  0.375638D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.117455D+01  0.415706D+01 -0.230912D+01  0.483606D+01 -0.315511D+01
      2   0.415706D+01 -0.256561D+01 -0.106047D+01 -0.315511D+01 -0.229446D+01
      3  -0.230912D+01 -0.106047D+01  0.717334D+00 -0.971908D+00 -0.221512D+01
                 6             7             8             9            10 
      1  -0.971908D+00 -0.262978D+01 -0.610712D+00 -0.395581D+00  0.190173D+01
      2  -0.221512D+01 -0.610712D+00 -0.223528D+01 -0.313973D+01 -0.384999D+01
      3  -0.286783D+01 -0.395581D+00 -0.313973D+01  0.654830D+01  0.280105D+01
                11            12            13            14            15 
      1  -0.384999D+01  0.280105D+01 -0.484737D+01  0.190803D+01  0.109246D+01
      2   0.198233D+01  0.121683D+01  0.190803D+01  0.266518D+01  0.257090D+01
      3   0.121683D+01 -0.347998D+00  0.109246D+01  0.257090D+01  0.338347D+01
                16            17            18            19            20 
      1   0.307690D+01  0.825982D+00 -0.902985D-01 -0.778812D+00  0.366992D+01
      2   0.825982D+00  0.229248D+01  0.384219D+01  0.366992D+01 -0.915963D+00
      3  -0.902985D-01  0.384219D+01 -0.415685D+01 -0.640365D+00 -0.200114D+00
                21            22            23            24            25 
      1  -0.640365D+00  0.456221D+01  0.195374D+00  0.219291D+00 -0.739739D+00
      2  -0.200114D+00  0.195374D+00 -0.171371D+01 -0.110618D+01  0.704291D+00
      3  -0.528568D-01  0.219291D+00 -0.110618D+01 -0.126265D+01  0.217497D+00
                26            27            28            29            30 
      1   0.704291D+00  0.217497D+00 -0.234389D+01 -0.211176D+01 -0.810650D-01
      2  -0.111614D+01 -0.232416D+01 -0.211176D+01  0.701848D-01  0.656102D+00
      3  -0.232416D+01  0.591230D+01 -0.810650D-01  0.656102D+00 -0.492431D+00
                31            32            33            34            35 
      1  -0.914296D+00  0.121664D+01  0.955814D+00  0.223333D+00  0.975930D+00
      2   0.121664D+01  0.486631D+01  0.159603D+01  0.975930D+00  0.201412D+01
      3   0.955814D+00  0.159603D+01  0.737118D+00  0.275535D+00  0.810820D+00
                36            37            38            39            40 
      1   0.275535D+00 -0.788285D+01  0.117769D+01  0.146218D+01 -0.212884D+01
      2   0.810820D+00  0.117769D+01 -0.188583D+01 -0.526824D+00 -0.344872D+01
      3   0.334821D-03  0.146218D+01 -0.526824D+00 -0.928481D+00 -0.147521D+00
                41            42            43            44            45 
      1  -0.344872D+01 -0.147521D+00  0.116312D+01 -0.681273D+00 -0.194164D+01
      2  -0.120144D+01 -0.176686D+00 -0.681273D+00 -0.625843D+00  0.662603D+00
      3  -0.176686D+00 -0.628887D-01 -0.194164D+01  0.662603D+00  0.187402D+01
                46            47            48            49            50 
      1   0.272448D+00  0.515119D+01 -0.324234D+01  0.497210D+01 -0.230254D+01
      2   0.515119D+01 -0.239092D+01 -0.740358D+00 -0.230254D+01 -0.179529D+00
      3  -0.324234D+01 -0.740358D+00  0.344728D+00 -0.820431D+00 -0.324404D+01
                51            52            53            54            55 
      1  -0.820431D+00 -0.237207D+01 -0.818973D+00  0.249710D+00 -0.845131D+00
      2  -0.324404D+01 -0.818973D+00 -0.248492D+01 -0.324815D+01 -0.105825D+01
      3  -0.261272D+01  0.249710D+00 -0.324815D+01  0.245510D+01 -0.145405D+00
                56            57            58            59            60 
      1  -0.105825D+01 -0.145405D+00 -0.102843D+01 -0.293721D+01  0.264266D+00
      2  -0.262298D+01  0.374553D+00 -0.293721D+01  0.259768D+01  0.212751D+01
      3   0.374553D+00 -0.199960D+01  0.264266D+00  0.212751D+01  0.164027D+00
                61            62            63            64            65 
      1  -0.281214D-01  0.460441D+00 -0.244370D+01 -0.146035D+01 -0.288112D+01
      2   0.460441D+00  0.234303D+01  0.670493D+00 -0.288112D+01 -0.184806D+01
      3  -0.244370D+01  0.670493D+00 -0.213001D+01 -0.998148D+00 -0.896389D+00
                66            67            68            69            70 
      1  -0.998148D+00 -0.380865D+01 -0.218757D+01 -0.710618D+00 -0.126775D+01
      2  -0.896389D+00 -0.218757D+01 -0.115763D+02 -0.232232D+01 -0.618482D+00
      3  -0.368158D+00 -0.710618D+00 -0.232232D+01 -0.257239D+01 -0.108601D+01
                71            72            73            74            75 
      1  -0.618482D+00 -0.108601D+01  0.250303D+00 -0.242031D+00 -0.115056D+01
      2  -0.181169D+01 -0.324957D+01 -0.242031D+00  0.885738D-01  0.352337D-01
      3  -0.324957D+01 -0.246832D+01 -0.115056D+01  0.352337D-01 -0.379199D-01
                76            77            78            79            80 
      1  -0.529639D+00 -0.900078D-01  0.160859D+00 -0.179576D+01 -0.409345D-01
      2  -0.900078D-01  0.148922D+01 -0.131975D+01 -0.409345D-01 -0.167923D+01
      3   0.160859D+00 -0.131975D+01  0.134828D+01 -0.266439D+00  0.186642D+01
                81            82            83            84            85 
      1  -0.266439D+00 -0.104405D+01 -0.414733D+00 -0.111385D+01 -0.921433D+00
      2   0.186642D+01 -0.414733D+00 -0.326294D+00 -0.839875D-01 -0.472470D+00
      3  -0.815836D+01 -0.111385D+01 -0.839875D-01 -0.186238D+00 -0.235951D+00
                86            87            88            89            90 
      1  -0.472470D+00 -0.235951D+00 -0.159205D+01 -0.234603D+00 -0.447400D-01
      2  -0.566236D+01 -0.233393D+01 -0.234603D+00 -0.235837D+01 -0.234250D+01
      3  -0.233393D+01 -0.263725D+01 -0.447400D-01 -0.234250D+01 -0.218924D+01
                91            92            93            94            95 
      1   0.131365D+01  0.187125D+01 -0.573238D-02  0.444387D+01  0.417581D+00
      2   0.187125D+01  0.416110D+00  0.198017D+00  0.417581D+00  0.402369D+01
      3  -0.573238D-02  0.198017D+00 -0.329243D+00 -0.367176D+00  0.916908D+00
                96            97            98            99           100 
      1  -0.367176D+00  0.650872D+00 -0.316143D-01 -0.684520D+00  0.515953D+00
      2   0.916908D+00 -0.316143D-01  0.854361D+00  0.603024D+00  0.355526D+00
      3   0.101644D+01 -0.684520D+00  0.603024D+00  0.826397D+00  0.105259D+01
               101           102           103           104           105 
      1   0.355526D+00  0.105259D+01  0.270303D+00  0.586628D+00  0.625586D-01
      2   0.970194D+00  0.334692D+00  0.586628D+00  0.300609D+00  0.727360D+00
      3   0.334692D+00  0.168612D+01  0.625586D-01  0.727360D+00  0.107522D+00
               106           107           108           109           110 
      1   0.217840D+01 -0.158320D-01  0.181227D+01  0.108269D+01  0.155390D+01
      2  -0.158320D-01  0.195381D+01  0.720936D+00  0.155390D+01  0.282818D+01
      3   0.181227D+01  0.720936D+00  0.474354D+01 -0.316501D+00 -0.545732D+00
               111           112           113           114           115 
      1  -0.316501D+00  0.227132D+01  0.233669D+01 -0.576124D+00 -0.109153D+01
      2  -0.545732D+00  0.233669D+01  0.580444D+01 -0.123385D+01 -0.909033D+00
      3   0.652322D+00 -0.576124D+00 -0.123385D+01  0.127729D+01  0.690260D+00
               116           117           118           119           120 
      1  -0.909033D+00  0.690260D+00 -0.505928D+01 -0.212588D+01  0.176114D+01
      2  -0.262700D+01  0.141473D+01 -0.212588D+01 -0.173460D+01  0.134528D+01
      3   0.141473D+01 -0.113279D+01  0.176114D+01  0.134528D+01 -0.269449D+01
               121           122           123           124           125 
      1  -0.211805D+01 -0.118113D+01  0.867776D+00  0.113689D+01  0.849357D+00
      2  -0.118113D+01 -0.218553D+01  0.158018D+01  0.849357D+00  0.114313D+01
      3   0.867776D+00  0.158018D+01 -0.113360D+01 -0.162328D+01 -0.774439D+00
               126           127           128           129           130 
      1  -0.162328D+01  0.479991D+01 -0.341778D+01  0.184195D+01 -0.328615D+01
      2  -0.774439D+00 -0.341778D+01  0.325381D+01 -0.114462D+01  0.297673D+01
      3   0.163177D+01  0.184195D+01 -0.114462D+01  0.174182D+01 -0.948501D+00
               131           132           133           134           135 
      1   0.297673D+01 -0.948501D+00  0.888298D+00 -0.561248D+00  0.111935D+01
      2  -0.429281D+01  0.185120D+01 -0.561248D+00  0.105223D+01 -0.830249D+00
      3   0.185120D+01 -0.126972D+01  0.111935D+01 -0.830249D+00  0.823601D+00
               136           137           138           139           140 
      1   0.804043D+00  0.231540D+00  0.125847D+01  0.873281D+00  0.578784D+00
      2   0.231540D+00  0.827981D+00  0.460368D+00  0.578784D+00  0.342482D+01
      3   0.125847D+01  0.460368D+00  0.987946D+00  0.783539D+00  0.203539D+01
               141           142           143           144           145 
      1   0.783539D+00  0.115730D+01  0.338547D+00  0.755120D+00  0.275451D+00
      2   0.203539D+01  0.338547D+00  0.197233D+01  0.196797D+01 -0.816421D-01
      3   0.349364D+01  0.755120D+00  0.196797D+01  0.413967D+01 -0.934706D+00
               146           147           148           149           150 
      1  -0.816421D-01 -0.934706D+00 -0.703437D-01  0.668449D+00 -0.249493D+00
      2   0.126754D+00  0.103758D+00  0.668449D+00  0.110881D+01 -0.126034D+01
      3   0.103758D+00 -0.471963D-02 -0.249493D+00 -0.126034D+01  0.174911D+01
               151           152           153           154           155 
      1  -0.198067D+01 -0.311254D+00  0.172463D+01  0.142285D+01  0.105066D+01
      2  -0.311254D+00 -0.141518D+01  0.199924D+01  0.105066D+01  0.145664D+01
      3   0.172463D+01  0.199924D+01 -0.929170D+01  0.801323D+00  0.423228D+00
               156           157           158           159           160 
      1   0.801323D+00  0.219944D+01  0.208654D+01  0.315922D+00  0.191820D+01
      2   0.423228D+00  0.208654D+01  0.529930D+01  0.151701D+01  0.796458D+00
      3   0.340132D+00  0.315922D+00  0.151701D+01  0.184184D+01  0.610692D+00
               161           162           163           164           165 
      1   0.796458D+00  0.610692D+00  0.794988D+01 -0.303554D+01 -0.409031D-01
      2   0.222240D+01  0.163730D+01 -0.303554D+01  0.226950D+01  0.504361D-01
      3   0.163730D+01  0.103996D+01 -0.409031D-01  0.504361D-01  0.971726D+00
               166           167           168           169           170 
      1  -0.477538D+01  0.280331D+01  0.305241D+00  0.110415D+01 -0.117049D+00
      2   0.280331D+01 -0.247391D+01  0.289715D+00 -0.117049D+00  0.505771D+00
      3   0.305241D+00  0.289715D+00 -0.699702D+00  0.112114D+01 -0.286936D+00
               171 
      1   0.112114D+01
      2  -0.286936D+00
      3  -0.467720D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.312996D+01  0.250031D+01  0.111498D+01  0.315755D+01  0.250268D+01
      2  -0.774829D+01  0.664048D+00  0.127295D+01  0.157523D+01 -0.900915D+01
      3  -0.126021D+02  0.648614D+01  0.316355D+01  0.138926D+02  0.752920D+01
                 6             7             8             9            10 
      1   0.507395D+00  0.187626D+01  0.459551D+01  0.878193D-01  0.334576D+01
      2  -0.919924D+01 -0.717223D+01 -0.977199D+01  0.186761D+02  0.719596D+01
      3   0.567653D+01  0.116095D+01  0.686701D+01  0.861376D+01  0.509251D+01
                11            12            13            14            15 
      1  -0.511899D+00 -0.244982D+00 -0.413962D+00  0.325551D+01 -0.274555D+01
      2  -0.102501D+01  0.396230D+01 -0.177079D+01  0.437824D+01  0.384422D+01
      3  -0.308153D+01 -0.177116D+01  0.393184D+01 -0.620996D+01 -0.540790D+01
                16            17            18            19            20 
      1  -0.595067D-01  0.408642D+01 -0.297722D+01 -0.359414D+01  0.743312D+00
      2  -0.384582D+01  0.448707D+01 -0.408713D+01 -0.110269D+01  0.153692D+01
      3  -0.215998D+01 -0.444537D+01 -0.455774D+01  0.137281D+01 -0.436462D+01
                21            22            23            24            25 
      1  -0.103148D+01  0.268940D+00  0.823606D+00  0.973289D+00 -0.171260D+01
      2   0.136776D+01  0.508385D+01 -0.208563D+01  0.263734D+01 -0.341195D+01
      3   0.711307D+00  0.189040D+01 -0.323677D+01  0.154158D+01 -0.100329D+01
                26            27            28            29            30 
      1   0.559504D+01  0.464690D+00  0.141535D+01  0.958217D+00  0.503995D+00
      2   0.110076D+01 -0.244185D+01 -0.595819D+01  0.239501D+00 -0.442478D+01
      3   0.112957D+01  0.603613D+00 -0.730562D+01 -0.270084D+00 -0.140006D+01
                31            32            33            34            35 
      1   0.276980D+01 -0.526097D+01  0.633681D+01  0.153539D+01  0.643634D+01
      2   0.508277D+01  0.151421D+00 -0.301560D+01 -0.180880D+02 -0.340602D+01
      3   0.105856D+01  0.116767D+02 -0.349800D+00 -0.351234D+01 -0.472751D+00
                36            37            38            39            40 
      1   0.502968D+01 -0.155771D+01 -0.246437D+01  0.207867D+01 -0.185340D+01
      2   0.329945D+01  0.547306D+00  0.247225D+01  0.836610D+01  0.193638D+01
      3   0.855493D+00 -0.391185D+01 -0.144970D+02 -0.122951D+01 -0.115460D+02
                41            42            43            44            45 
      1  -0.159757D+01 -0.360699D+01 -0.917154D-01  0.234882D+01 -0.135019D+01
      2   0.145092D+01  0.108092D+01  0.655259D+01  0.371973D+00 -0.529573D+01
      3  -0.988745D+01 -0.751525D+00 -0.237582D+00  0.253316D+00  0.126762D+01
                46            47            48            49            50 
      1   0.506397D+01 -0.505373D+01 -0.746667D+00 -0.462542D+01 -0.340545D+01
      2  -0.551750D+01 -0.102499D+02  0.100164D+02 -0.854227D+01 -0.115735D+01
      3  -0.812933D+01 -0.460678D+01  0.527777D+01 -0.373945D+00  0.332845D+01
                51            52            53            54            55 
      1  -0.130807D+02 -0.127349D+01 -0.715635D+01 -0.213489D+01  0.714150D+00
      2  -0.285473D+01  0.260933D+01 -0.304189D+01  0.193453D+01  0.541495D+00
      3   0.572803D+01  0.402747D+01  0.498703D+01  0.404338D+01 -0.298708D+01
                56            57            58            59            60 
      1  -0.329376D+01  0.616433D+01 -0.341204D+01 -0.708507D+01 -0.484161D+01
      2   0.177053D+01  0.612924D+01 -0.476216D+00  0.457926D+00 -0.153027D+01
      3  -0.102736D+02 -0.170523D+01  0.193484D+01 -0.328303D+01  0.197869D+01
                61            62            63            64            65 
      1   0.690891D+01  0.407045D+01  0.472365D+01  0.426363D+00  0.114520D+01
      2  -0.187384D+01 -0.104439D+01  0.207917D+01  0.131744D+01  0.305213D+00
      3   0.422895D+00  0.372485D+01 -0.599501D+01 -0.139894D+01 -0.438408D+01
                66            67            68            69            70 
      1  -0.224256D+01  0.539431D-01  0.480481D+01 -0.972615D+01 -0.459682D+00
      2   0.476970D+01 -0.550940D+01  0.169463D+01  0.537654D+01  0.120492D+01
      3  -0.571736D+00  0.861800D+01 -0.196887D+02 -0.219033D+01  0.133334D+01
                71            72            73            74            75 
      1   0.198844D+01 -0.190883D+01  0.643776D+00 -0.329657D+00  0.160373D+00
      2   0.598428D+01  0.277410D+01  0.118444D+01 -0.673078D-01 -0.527503D-01
      3  -0.225445D+01 -0.563453D+01  0.607189D+00 -0.375836D+00 -0.567484D+00
                76            77            78            79            80 
      1  -0.254309D+00 -0.170418D+01 -0.625870D+00  0.198603D+00  0.276115D+01
      2  -0.189407D+00  0.441524D+00 -0.429791D+00 -0.363168D+01 -0.147882D-02
      3   0.144853D+01  0.433762D+00 -0.293632D+00 -0.934565D+00 -0.515986D+00
                81            82            83            84            85 
      1   0.224898D+01 -0.917171D+00  0.137791D+00 -0.162042D+00 -0.148917D+00
      2   0.851174D+00 -0.257450D+01 -0.272870D+00 -0.862216D-01 -0.164020D+01
      3   0.136916D+00  0.222987D+01  0.572777D+00  0.118361D+01  0.449863D+01
                86            87            88            89            90 
      1   0.100988D+01 -0.319961D+01 -0.808443D-02  0.689341D+00 -0.106150D+01
      2  -0.278142D+01 -0.304973D+01 -0.277466D+01 -0.265991D+01 -0.240778D+01
      3   0.781099D+01  0.350536D+01  0.243513D+01  0.334388D+01  0.320721D+01
                91            92            93            94            95 
      1   0.147028D+01  0.156039D+01  0.139923D+01  0.186197D+01  0.207179D+01
      2  -0.234897D+01 -0.210638D+01 -0.156041D+01 -0.228922D+01 -0.387408D+01
      3   0.642474D+01  0.838476D+01  0.603091D+00  0.120645D+02  0.156929D+02
                96            97            98            99           100 
      1  -0.372300D+00  0.118841D+01  0.162557D+01 -0.220603D+00 -0.295824D+01
      2  -0.328827D+01 -0.213389D+01 -0.222142D+01 -0.106924D+01 -0.189746D+01
      3   0.264000D+01  0.122424D+01  0.209519D+01  0.249597D+00  0.228381D+01
               101           102           103           104           105 
      1   0.107182D+01 -0.516303D+01  0.105037D+01 -0.211854D+01  0.389538D+00
      2   0.680305D-01 -0.971417D+00  0.288862D+00 -0.104863D+01  0.673563D+00
      3  -0.210283D+00  0.257709D+01  0.510325D+00  0.122162D+01  0.135103D-01
               106           107           108           109           110 
      1  -0.569866D+01  0.140668D+01 -0.110005D+02  0.119091D+01  0.241702D+01
      2  -0.385408D+01  0.442388D+00 -0.208800D+01  0.311942D+00 -0.287384D+00
      3   0.542335D+01 -0.410748D+00  0.501702D+01  0.412979D+01  0.301341D+01
               111           112           113           114           115 
      1  -0.264974D+01  0.279279D+01  0.458173D+01 -0.412136D+01 -0.244933D+01
      2   0.146405D+00 -0.260152D+00 -0.434903D+00  0.564564D+00 -0.995259D+00
      3  -0.106186D+01  0.740886D+01  0.587142D+01 -0.193238D+01 -0.377168D+01
               116           117           118           119           120 
      1  -0.301115D+01  0.287724D+01 -0.198654D+01 -0.225853D+01 -0.181847D+01
      2   0.211684D+00 -0.240229D+00  0.125360D+02  0.483410D+01 -0.348229D+01
      3  -0.272007D+01  0.207858D+01  0.104557D+02  0.294875D+01 -0.303978D+01
               121           122           123           124           125 
      1  -0.124669D+01 -0.167708D+01  0.175326D+00 -0.725774D+00  0.229784D+01
      2   0.493846D+01  0.355945D+01 -0.196990D+01 -0.502065D+01 -0.232358D+01
      3   0.551197D+01  0.330311D+01 -0.280226D+01 -0.214338D+01 -0.169645D+01
               126           127           128           129           130 
      1   0.592071D+00 -0.320139D+01  0.443931D+01  0.155069D+01  0.350254D+01
      2   0.393064D+01 -0.498055D+01  0.337542D+01  0.211925D+01  0.437417D+01
      3   0.303988D+01 -0.129921D+01 -0.273818D+01 -0.122582D+00  0.148810D+01
               131           132           133           134           135 
      1  -0.431648D+01 -0.503865D+00  0.179983D+00  0.187963D+01 -0.217207D+00
      2  -0.178855D+01 -0.138767D+01 -0.131572D+01  0.786438D-01 -0.200308D+00
      3   0.354557D+01 -0.165964D+01 -0.681827D+00 -0.116139D+01 -0.151229D+00
               136           137           138           139           140 
      1   0.174366D+01  0.200483D+01  0.145885D+01  0.120444D+01  0.111704D+02
      2   0.462968D+00  0.180560D+00  0.406946D+00 -0.159867D+01  0.245922D+01
      3  -0.569967D+00 -0.207993D+01 -0.170988D+01  0.565897D+00 -0.690282D+01
               141           142           143           144           145 
      1   0.525612D+01  0.142850D+01  0.806467D+01  0.678334D+01  0.204398D+00
      2   0.409831D+01 -0.246204D+01  0.207465D+01  0.448706D+01 -0.264587D+01
      3  -0.342472D+01 -0.794163D+00 -0.340605D+01 -0.347660D+01  0.308769D+00
               146           147           148           149           150 
      1  -0.601810D-02 -0.124675D+00 -0.388944D+00 -0.145273D+01 -0.449403D+00
      2  -0.470095D-01  0.252755D+00  0.116858D-01 -0.233047D+01  0.481884D+01
      3  -0.106618D+01 -0.289509D+00 -0.523963D+00 -0.305986D+01  0.297867D+01
               151           152           153           154           155 
      1  -0.989493D-01  0.362008D+01  0.895442D+00 -0.113162D+01 -0.129176D+01
      2  -0.953984D+00  0.509598D+01 -0.231355D+02  0.345635D+01  0.193608D+01
      3  -0.331874D+00  0.398724D+01 -0.524893D+01 -0.315905D+01 -0.442724D+01
               156           157           158           159           160 
      1  -0.102475D+01 -0.146353D+01 -0.420068D+01 -0.425748D+01 -0.812996D+00
      2   0.233080D+01  0.175631D+01  0.669792D+01  0.653471D+01  0.107233D+01
      3  -0.818490D+00 -0.242057D+01 -0.163760D+02 -0.506825D+01 -0.588157D+00
               161           162           163           164           165 
      1  -0.105172D+01 -0.233624D+01  0.225817D+01 -0.176847D+01  0.777265D+00
      2   0.539019D+01  0.404860D+01  0.625027D+01 -0.260635D+01  0.504581D+01
      3  -0.738060D+01 -0.475267D+01  0.850659D+01 -0.951750D+01  0.547530D-01
               166           167           168           169           170 
      1  -0.188528D+01  0.187796D+01 -0.171615D+01  0.260760D-01  0.240236D+00
      2  -0.277139D+01  0.321891D+01 -0.290381D+01  0.276327D+01 -0.713944D+00
      3  -0.662724D+01  0.817789D+01 -0.114750D+01  0.131455D+00 -0.192423D+01
               171 
      1   0.220313D+00
      2  -0.149563D+00
      3   0.703649D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114819D+02  0.249950D+02 -0.118271D+02  0.301074D+02 -0.170911D+02
      2   0.272194D+01 -0.139781D+02  0.543657D+01 -0.165866D+02  0.245140D+01
      3   0.875997D+01 -0.110169D+02  0.639053D+01 -0.135208D+02  0.146397D+02
      4   0.267309D+02 -0.150647D+02 -0.528131D+01 -0.212431D+02 -0.116253D+02
      5  -0.105594D+02 -0.855187D+01  0.440701D+01 -0.101853D+02 -0.101756D+02
      6  -0.497277D+01  0.225940D+01  0.106109D+00  0.173895D+01 -0.912928D+00
                 6             7             8             9            10 
      1  -0.889431D+01 -0.151221D+02 -0.627382D+01  0.120629D+02 -0.638499D+01
      2  -0.283470D+01  0.404909D+01 -0.472915D+01  0.783161D+01  0.184030D+01
      3   0.117290D+02  0.110730D+02  0.110030D+02 -0.198945D+02  0.454469D+01
      4  -0.118380D+02 -0.430285D+01 -0.136413D+02 -0.131824D+02 -0.117155D+02
      5  -0.137482D+02  0.102868D+00 -0.139906D+02  0.280785D+02  0.112939D+02
      6  -0.426008D+00 -0.112492D+01 -0.566878D+00  0.597145D+01 -0.455830D+01
                11            12            13            14            15 
      1  -0.108072D+02  0.101161D+02 -0.148560D+02  0.106916D+02  0.688534D+01
      2   0.519502D+01 -0.678823D+01  0.791430D+01 -0.879707D+01 -0.100880D+02
      3   0.561222D+01 -0.332788D+01  0.694167D+01 -0.189457D+01  0.320263D+01
      4   0.468159D+01  0.178199D+01  0.102913D+02  0.558597D+01  0.595659D+01
      5   0.374446D+01 -0.166707D+01  0.680935D+01  0.653372D+01  0.739056D+01
      6   0.123921D+01 -0.800009D+00  0.642136D+00 -0.100054D+02 -0.384778D+01
                16            17            18            19            20 
      1   0.133294D+02  0.525054D+01  0.488685D+01 -0.884543D+01 -0.447507D+00
      2  -0.669648D+01 -0.382286D+01 -0.487213D+01  0.101569D+02 -0.225153D+00
      3  -0.663296D+01 -0.142768D+01 -0.147247D-01 -0.131145D+01  0.672660D+00
      4   0.464115D+01  0.551809D+01  0.891990D+01 -0.138932D+01  0.347537D+01
      5  -0.593030D+00  0.897036D+01 -0.102443D+02 -0.227217D+01 -0.233161D+00
      6   0.586407D+00 -0.603946D+01  0.146024D+01  0.325711D+01 -0.275647D+01
                21            22            23            24            25 
      1   0.208044D+00  0.631909D+01  0.253663D+01 -0.149958D+01 -0.429557D+01
      2   0.182142D+01 -0.251186D+01 -0.535141D+01 -0.342036D+01  0.322320D+01
      3  -0.202946D+01 -0.380723D+01  0.281478D+01  0.491994D+01  0.107237D+01
      4   0.123695D+01 -0.702687D+01  0.582980D+01  0.643408D+00 -0.415403D+01
      5   0.468750D+00 -0.246848D+01  0.483921D+00  0.351143D+01 -0.946032D+00
      6   0.884481D+00 -0.962946D+00  0.722461D+00 -0.522607D+01 -0.441468D+00
                26            27            28            29            30 
      1  -0.106707D+01  0.105541D+02 -0.573220D+01  0.102878D+02  0.142166D+01
      2  -0.909573D+01  0.819564D+01  0.133848D+00 -0.799187D+01 -0.582761D+01
      3   0.101628D+02 -0.187497D+02  0.559835D+01 -0.229590D+01  0.440595D+01
      4   0.843814D+00  0.129874D+00  0.474963D+01 -0.800103D+01 -0.276390D+01
      5  -0.122053D+01  0.557987D+00  0.326732D+01 -0.296747D+01 -0.682889D+01
      6  -0.351009D+01  0.960000D+01 -0.150723D+01 -0.220628D+01 -0.135113D+01
                31            32            33            34            35 
      1   0.155722D+01  0.873057D+01  0.291052D+01  0.303251D+01 -0.538074D+00
      2  -0.341634D+01 -0.173196D+02  0.383711D+01 -0.398944D+01 -0.286085D+01
      3   0.185912D+01  0.858898D+01 -0.674763D+01  0.956925D+00  0.339893D+01
      4  -0.158597D+02 -0.226019D+02 -0.582050D+01 -0.866215D+01 -0.298566D+01
      5  -0.860388D+01 -0.752681D+01 -0.550534D+01 -0.110372D+00 -0.376946D+01
      6  -0.288195D+01 -0.814383D+01 -0.102777D+02 -0.301978D+01  0.151119D+01
                36            37            38            39            40 
      1  -0.384619D+01  0.497251D+02 -0.693469D+01 -0.508664D+01  0.681137D+01
      2  -0.332943D+01 -0.293441D+02  0.114754D+01  0.628649D+01 -0.759503D+01
      3   0.717562D+01 -0.203810D+02  0.578715D+01 -0.119985D+01  0.783660D+00
      4  -0.469584D+01 -0.161029D+02  0.158410D+02  0.224995D+01  0.161464D+02
      5   0.374730D+01 -0.913611D+01  0.144524D+01  0.157296D+02  0.148837D+00
      6  -0.702698D+01 -0.512638D+00 -0.280572D+00 -0.264634D+01 -0.162262D+01
                41            42            43            44            45 
      1   0.112423D+02 -0.421441D+00 -0.288100D+01  0.237751D+01  0.612588D+01
      2  -0.426158D+01 -0.122804D+01  0.276626D+01 -0.140554D+01 -0.100096D+02
      3  -0.698067D+01  0.164948D+01  0.114743D+00 -0.971963D+00  0.388369D+01
      4  -0.106481D+01 -0.644922D+00  0.382014D+01 -0.701455D+00 -0.346649D+01
      5  -0.532880D+00 -0.587660D+00  0.153167D+02 -0.394164D+01 -0.116556D+02
      6  -0.113057D+01  0.618513D+01 -0.117013D+01  0.442314D+01  0.145666D+01
                46            47            48            49            50 
      1   0.855682D+01  0.148328D+02 -0.963159D+01  0.140717D+02 -0.322388D+01
      2  -0.960253D+01 -0.437447D+00  0.575725D+01  0.170395D+00  0.645601D+01
      3   0.104571D+01 -0.143953D+02  0.387435D+01 -0.142421D+02 -0.323213D+01
      4   0.128302D+02 -0.186527D+02  0.631276D+01 -0.191295D+02  0.445346D+01
      5  -0.668789D+01  0.105253D+02 -0.647793D+01  0.904005D+01 -0.142243D+02
      6   0.175943D+02 -0.563712D+01 -0.333117D+01 -0.630584D+01  0.237179D+01
                51            52            53            54            55 
      1   0.335560D+01 -0.834542D+01  0.203758D+01 -0.653115D+01  0.152602D+02
      2   0.129538D+02  0.455449D+01  0.103796D+02  0.254603D+01 -0.112805D+02
      3  -0.163094D+02  0.379093D+01 -0.124172D+02  0.398512D+01 -0.397966D+01
      4  -0.908175D+01  0.378886D+01 -0.595348D+01 -0.955037D+01 -0.197276D+01
      5  -0.106942D+02 -0.754616D+01 -0.111022D+02  0.591621D+01 -0.109673D+01
      6  -0.844597D+01 -0.362723D+01 -0.539563D+01 -0.115545D+02 -0.695008D+00
                56            57            58            59            60 
      1   0.701685D+01 -0.340743D-01  0.519224D+01 -0.103021D+02 -0.657023D+01
      2  -0.133964D+02  0.397930D+01 -0.124342D+02  0.139389D+02  0.100933D+02
      3   0.637954D+01 -0.394522D+01  0.724192D+01 -0.363681D+01 -0.352304D+01
      4  -0.216757D+01 -0.123383D+01  0.291495D+01 -0.137243D+02  0.368820D+00
      5   0.179382D+00  0.249566D+01  0.657764D+00 -0.811789D+00 -0.255145D+01
      6   0.241771D+01 -0.819200D+01  0.169850D+01  0.125604D+02  0.619596D+01
                61            62            63            64            65 
      1  -0.226090D+01 -0.725943D+01 -0.897388D-01  0.102714D+02  0.585203D+01
      2   0.671923D+01  0.133948D+02  0.154960D+01 -0.211501D+01  0.116964D+01
      3  -0.445832D+01 -0.613535D+01 -0.145986D+01 -0.815640D+01 -0.702166D+01
      4   0.305466D-01  0.156479D+01 -0.857404D+01  0.161425D+02  0.190720D+02
      5   0.340271D+01 -0.219718D+01 -0.386162D+01  0.696196D+01  0.570080D+01
      6  -0.945241D+01  0.348917D+01 -0.396225D+01  0.351948D+01  0.321039D+01
                66            67            68            69            70 
      1   0.138757D+01  0.813661D+01 -0.217135D+02 -0.586107D+01  0.258646D+01
      2  -0.849080D+00  0.131956D+01  0.393822D+02  0.213515D+01 -0.101376D+01
      3  -0.538488D+00 -0.945617D+01 -0.176687D+02  0.372592D+01 -0.157270D+01
      4   0.471997D+01  0.221141D+02  0.444887D+02  0.957020D+01  0.457683D+01
      5   0.926221D+01  0.612689D+01  0.113764D+02  0.112516D+02  0.100761D+02
      6   0.425983D+01  0.533690D+01  0.131136D+02  0.165276D+02  0.508189D+01
                71            72            73            74            75 
      1  -0.500079D+01 -0.599311D+01  0.888056D+00  0.637274D+00 -0.343753D+00
      2   0.253770D+01  0.661633D+00 -0.384523D+01 -0.508774D+00 -0.425144D+00
      3   0.246309D+01  0.533148D+01  0.295718D+01 -0.128501D+00  0.768897D+00
      4   0.681938D+01  0.125115D+02 -0.220919D+00  0.168300D+01 -0.193923D+01
      5   0.127836D+02  0.103969D+02  0.299830D+00 -0.137893D+01  0.559145D+01
      6   0.142600D+02  0.952941D+01 -0.220202D+01  0.782722D+00 -0.180274D+00
                76            77            78            79            80 
      1   0.220307D+00 -0.543850D+01  0.363566D+01  0.477928D+00  0.557647D+01
      2   0.287052D+00  0.171467D+01 -0.515044D+00  0.149563D+00  0.471982D+00
      3  -0.507359D+00  0.372383D+01 -0.312062D+01 -0.627491D+00 -0.604845D+01
      4   0.259187D+01 -0.114603D+01  0.592183D+00 -0.546486D+00  0.897082D+00
      5  -0.656940D+00  0.952876D-01 -0.807898D+00  0.545945D+01  0.855577D-01
      6   0.929940D+00 -0.439432D+01  0.878645D+01  0.250631D+00  0.784718D+01
                81            82            83            84            85 
      1  -0.190129D+02 -0.266807D+00 -0.966004D+00 -0.278127D+01 -0.295174D+01
      2  -0.136333D+02  0.221518D+01  0.757025D+00  0.194160D+01  0.236379D+01
      3   0.326462D+02 -0.194837D+01  0.208979D+00  0.839679D+00  0.587941D+00
      4  -0.493495D+00 -0.155766D+00  0.332361D+01  0.149363D+01  0.234032D+01
      5   0.138838D+01 -0.200073D+01  0.134333D+01  0.210461D+01  0.950243D+00
      6  -0.139338D+02  0.301428D+01  0.530798D+00  0.675934D+00  0.780034D+00
                86            87            88            89            90 
      1  -0.137525D+02 -0.529665D+01 -0.442822D+01 -0.631376D+01 -0.746692D+01
      2   0.183029D+02  0.700264D+01  0.242694D+01  0.439997D+01  0.238177D+01
      3  -0.455040D+01 -0.170599D+01  0.200128D+01  0.191379D+01  0.508515D+01
      4  -0.114128D+02 -0.463174D+01 -0.452242D-01 -0.484408D+01 -0.438867D+01
      5  -0.460154D+01 -0.610222D+01  0.263768D+01 -0.466490D+01 -0.393258D+01
      6   0.124402D+02  0.100997D+02  0.104284D+01  0.106508D+02  0.941908D+01
                91            92            93            94            95 
      1  -0.114093D+02 -0.358405D+01  0.167822D+00 -0.159712D+02 -0.575980D+01
      2   0.102226D+02  0.588880D+00 -0.634398D-01  0.936266D+01  0.808556D+01
      3   0.118671D+01  0.299517D+01 -0.104382D+00  0.660852D+01 -0.232576D+01
      4  -0.385414D+01  0.540836D+00 -0.113272D+00  0.618139D+01 -0.149552D+02
      5   0.903889D+00  0.495237D+00 -0.141672D+01  0.269581D+01 -0.288826D+01
      6   0.727655D+00 -0.438709D+00 -0.209710D+01 -0.742058D+00  0.270915D+01
                96            97            98            99           100 
      1  -0.187175D-01 -0.138927D+01 -0.139767D+01 -0.745017D+00 -0.849079D+00
      2   0.589296D+00  0.119346D+01  0.113505D+01 -0.307099D+00 -0.183150D+00
      3  -0.570579D+00  0.195805D+00  0.262625D+00  0.105212D+01  0.103223D+01
      4  -0.385330D+01  0.855117D+00 -0.300587D+01 -0.308666D+01  0.173223D+01
      5  -0.486794D+01  0.332781D+01 -0.265404D+01 -0.263109D+01  0.215812D+01
      6   0.167335D+01 -0.163586D+01  0.271814D+01  0.169379D+01  0.315103D+01
               101           102           103           104           105 
      1  -0.242534D+01 -0.168455D+01 -0.109267D+00 -0.168606D+01 -0.132018D+01
      2   0.363820D+01 -0.693745D+00  0.123784D+01  0.156108D+01  0.177749D+01
      3  -0.121287D+01  0.237830D+01 -0.112857D+01  0.124977D+00 -0.457307D+00
      4   0.340346D+01  0.293498D+01  0.297795D+01  0.153571D+01  0.166808D+01
      5   0.724784D+00  0.330525D+01  0.569515D+00  0.177600D+01  0.815604D+00
      6   0.269091D+01  0.636144D+01  0.201339D+01  0.145755D+01  0.319858D+01
               106           107           108           109           110 
      1  -0.144358D+01 -0.411243D+01 -0.729166D+01 -0.158375D+01 -0.693216D+01
      2  -0.230813D+01  0.506665D+01 -0.444735D+01  0.565653D+01  0.142690D+02
      3   0.375171D+01 -0.954222D+00  0.117390D+02 -0.407278D+01 -0.733686D+01
      4   0.599270D+01  0.212787D+01  0.522034D+01  0.481081D+01  0.888734D+01
      5   0.371347D+01  0.924171D+00  0.484070D+01 -0.145848D+01 -0.912825D+00
      6   0.593875D+01  0.523483D+01  0.152262D+02 -0.229548D+01 -0.372918D+01
               111           112           113           114           115 
      1   0.532412D+00 -0.556970D+01 -0.158568D+02  0.356313D+01  0.233407D+01
      2  -0.261773D+01  0.112268D+02  0.300789D+02 -0.691189D+01 -0.417967D+01
      3   0.208532D+01 -0.565709D+01 -0.142220D+02  0.334875D+01  0.184560D+01
      4  -0.169979D+01  0.928772D+01  0.110576D+02 -0.313087D+01 -0.317789D+01
      5   0.190834D+01  0.218373D+00 -0.136134D+01  0.784508D+00  0.180350D+01
      6   0.331280D+01 -0.363759D+01 -0.833269D+01  0.629290D+01  0.382113D+01
               116           117           118           119           120 
      1   0.731346D+01 -0.469853D+01 -0.100626D+02 -0.970282D+01  0.109416D+02
      2  -0.119808D+02  0.543905D+01  0.577327D+01  0.641971D+01 -0.103696D+01
      3   0.466736D+01 -0.740518D+00  0.428930D+01  0.328311D+01 -0.990462D+01
      4  -0.437885D+01  0.326676D+01  0.751732D+01  0.467677D+01 -0.246520D+01
      5   0.140111D+01 -0.999514D+00 -0.999485D+01 -0.429136D+01  0.358432D+01
      6   0.924958D+01 -0.607979D+01 -0.826748D+01 -0.802866D+01  0.892921D+01
               121           122           123           124           125 
      1  -0.824909D+01 -0.915851D+01  0.638971D+01  0.756310D+01  0.543963D+01
      2   0.556901D+01  0.813742D+01 -0.367481D+01 -0.596302D+00 -0.272851D+01
      3   0.268008D+01  0.102110D+01 -0.271490D+01 -0.696679D+01 -0.271113D+01
      4   0.578061D+01  0.794734D+00  0.128924D+00 -0.187459D+01 -0.653775D+00
      5  -0.496790D+01 -0.497031D+00  0.164602D+01  0.553481D+01  0.246583D+01
      6  -0.538503D+01 -0.903950D+01  0.842178D+01  0.646784D+01  0.718017D+01
               126           127           128           129           130 
      1  -0.846658D+01  0.169041D+02 -0.735846D+01  0.216554D+01 -0.724759D+01
      2  -0.710600D+00 -0.397268D+01 -0.314525D+01 -0.315723D+01 -0.324973D+01
      3   0.917718D+01 -0.129314D+02  0.105037D+02  0.991686D+00  0.104973D+02
      4   0.321188D+01 -0.234534D+02  0.209165D+02 -0.808613D+01  0.202149D+02
      5  -0.322106D+01  0.174462D+02 -0.121004D+02  0.121411D+02 -0.113952D+02
      6  -0.619168D+01 -0.113099D+02  0.109217D+02 -0.717753D+01  0.942729D+01
               131           132           133           134           135 
      1  -0.695036D+00  0.150387D+01  0.501571D+00  0.110727D+01  0.409135D+00
      2   0.111442D+02 -0.181629D+01 -0.225108D+01 -0.106498D+00 -0.168407D+01
      3  -0.104492D+02  0.312417D+00  0.174951D+01 -0.100077D+01  0.127494D+01
      4  -0.226628D+02  0.821161D+01 -0.389934D+01  0.447032D+01 -0.579103D+01
      5   0.120014D+02 -0.701950D+01  0.894864D+01 -0.555140D+01  0.602669D+01
      6  -0.140792D+02  0.100450D+02 -0.538662D+01  0.778644D+01 -0.460728D+01
               136           137           138           139           140 
      1   0.147171D+01  0.915246D+00  0.256793D+01  0.235004D+01 -0.216835D+01
      2  -0.328081D+01 -0.292868D+01 -0.479962D+01 -0.444820D+01 -0.421779D+01
      3   0.180910D+01  0.201344D+01  0.223168D+01  0.209817D+01  0.638614D+01
      4   0.119106D+01  0.536645D+01  0.831706D+00  0.466121D+01  0.829912D+01
      5   0.619715D+01  0.273948D+01  0.843611D+01  0.583533D+01  0.824276D+01
      6   0.455878D+00  0.300431D+01  0.153616D+01  0.235899D+01  0.117362D+02
               141           142           143           144           145 
      1  -0.513789D+01  0.213112D+01 -0.310548D+01 -0.793279D+01  0.180510D+01
      2  -0.102489D+02 -0.452695D+01 -0.714902D+01 -0.136078D+02 -0.357392D+01
      3   0.153868D+02  0.239584D+01  0.102545D+02  0.215406D+02  0.176882D+01
      4   0.591705D+01  0.487829D+00  0.496995D+01  0.540087D+01 -0.669188D+00
      5   0.121890D+02  0.769880D+01  0.674964D+01  0.137904D+02 -0.454779D+01
      6   0.798438D+01  0.143292D+01  0.879708D+01  0.696342D+01 -0.797086D+00
               146           147           148           149           150 
      1  -0.577021D+00 -0.585107D+01 -0.882033D+00 -0.712443D+00  0.302745D+01
      2   0.286967D+00  0.296816D+01 -0.649472D-01 -0.647591D+00  0.167528D+01
      3   0.290054D+00  0.288291D+01  0.946980D+00  0.136003D+01 -0.470273D+01
      4   0.262698D+01 -0.110539D+01  0.538800D+01  0.535955D+01 -0.582988D+01
      5  -0.777512D+00  0.663227D+01 -0.202985D+01 -0.563189D+01  0.918080D+01
      6  -0.190258D+00  0.391370D+00 -0.148414D+01 -0.367590D+01  0.809829D+01
               151           152           153           154           155 
      1  -0.814717D+01  0.310752D+01 -0.138888D+02  0.101869D+02  0.517473D+01
      2   0.840123D+01  0.180602D+01 -0.193136D+02 -0.190806D+01  0.125133D+00
      3  -0.254057D+00 -0.491354D+01  0.332024D+02 -0.827888D+01 -0.529987D+01
      4  -0.292650D+01 -0.677450D+01  0.858359D+01  0.684803D+01  0.126826D+02
      5   0.147948D+02  0.930479D+01 -0.445388D+02  0.375237D+01  0.309035D+01
      6   0.111863D+01  0.792560D+01 -0.843859D+01  0.130024D+01 -0.515303D+00
               156           157           158           159           160 
      1   0.442766D+01  0.103724D+02  0.579207D+01  0.177319D+01  0.103408D+02
      2  -0.131847D+01 -0.198446D+01  0.981849D+01  0.350244D+01 -0.418594D+01
      3  -0.310918D+01 -0.838796D+01 -0.156106D+02 -0.527563D+01 -0.615487D+01
      4   0.410190D+01  0.169237D+02  0.300691D+02  0.852051D+01  0.677751D+01
      5   0.313953D+01  0.224388D+01  0.822012D+01  0.105998D+02  0.443531D+01
      6   0.443697D+00 -0.249906D+00  0.531847D+00  0.352605D+01  0.142401D+01
               161           162           163           164           165 
      1   0.285795D+01 -0.513909D-02  0.570966D+02 -0.201145D+02  0.730077D+00
      2   0.298211D+01 -0.229744D+00 -0.273896D+02  0.908353D+01  0.673309D+00
      3  -0.584006D+01  0.234883D+00 -0.297071D+02  0.110309D+02 -0.140339D+01
      4   0.124733D+02  0.871125D+01 -0.231223D+02  0.176862D+02  0.463724D+00
      5   0.909393D+01  0.653748D+01 -0.645686D+01  0.266468D+01  0.839870D+01
      6   0.329363D+01  0.239464D+01  0.409795D+01 -0.327458D+01 -0.112550D+01
               166           167           168           169           170 
      1  -0.292328D+02  0.145803D+02  0.101594D+01  0.730306D+01 -0.959059D+00
      2   0.127019D+02 -0.250631D+01 -0.909098D+00 -0.244890D+01  0.745410D+00
      3   0.165309D+02 -0.120740D+02 -0.106840D+00 -0.485416D+01  0.213649D+00
      4   0.221073D+02 -0.183842D+02  0.132334D+01 -0.138160D+01  0.325436D+01
      5   0.501149D+01 -0.478114D+00 -0.548504D+01  0.860544D+01 -0.279056D+01
      6  -0.358429D+01  0.351070D+01  0.240261D+01 -0.141018D+01  0.212286D+01
               171 
      1   0.445344D+01
      2  -0.393680D+01
      3  -0.516646D+00
      4  -0.272689D+01
      5  -0.212632D+01
      6  -0.480458D+00
 Leave Link  716 at Thu Aug 12 21:23:04 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.866625D+02 -0.103555D+00 -0.193023D+01
      2  -0.103555D+00  0.809778D+02  0.143949D+01
      3  -0.193023D+01  0.143949D+01  0.712143D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.640974D+00 -0.264047D+00  0.116699D+01
      2   0.257871D+01 -0.790287D+01  0.350574D+02
      3   0.587758D+01 -0.186550D+02  0.844420D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.764813D+02 -0.829755D+01 -0.206617D+01
      2  -0.437264D+02  0.850751D+01 -0.152881D+00
      3  -0.327548D+02 -0.209958D+00  0.221905D+01
      4  -0.538009D+01  0.394111D+02 -0.211274D+02
      5   0.603702D+01 -0.230861D+02  0.761794D+02
      6  -0.931714D+01  0.796444D+01  0.375638D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.117455D+01  0.415706D+01 -0.230912D+01  0.483606D+01 -0.315511D+01
      2   0.415706D+01 -0.256561D+01 -0.106047D+01 -0.315511D+01 -0.229446D+01
      3  -0.230912D+01 -0.106047D+01  0.717334D+00 -0.971908D+00 -0.221512D+01
                 6             7             8             9            10 
      1  -0.971908D+00 -0.262978D+01 -0.610712D+00 -0.395581D+00  0.190173D+01
      2  -0.221512D+01 -0.610712D+00 -0.223528D+01 -0.313973D+01 -0.384999D+01
      3  -0.286783D+01 -0.395581D+00 -0.313973D+01  0.654830D+01  0.280105D+01
                11            12            13            14            15 
      1  -0.384999D+01  0.280105D+01 -0.484737D+01  0.190803D+01  0.109246D+01
      2   0.198233D+01  0.121683D+01  0.190803D+01  0.266518D+01  0.257090D+01
      3   0.121683D+01 -0.347998D+00  0.109246D+01  0.257090D+01  0.338347D+01
                16            17            18            19            20 
      1   0.307690D+01  0.825982D+00 -0.902985D-01 -0.778812D+00  0.366992D+01
      2   0.825982D+00  0.229248D+01  0.384219D+01  0.366992D+01 -0.915963D+00
      3  -0.902985D-01  0.384219D+01 -0.415685D+01 -0.640365D+00 -0.200114D+00
                21            22            23            24            25 
      1  -0.640365D+00  0.456221D+01  0.195374D+00  0.219291D+00 -0.739739D+00
      2  -0.200114D+00  0.195374D+00 -0.171371D+01 -0.110618D+01  0.704291D+00
      3  -0.528568D-01  0.219291D+00 -0.110618D+01 -0.126265D+01  0.217497D+00
                26            27            28            29            30 
      1   0.704291D+00  0.217497D+00 -0.234389D+01 -0.211176D+01 -0.810650D-01
      2  -0.111614D+01 -0.232416D+01 -0.211176D+01  0.701848D-01  0.656102D+00
      3  -0.232416D+01  0.591230D+01 -0.810650D-01  0.656102D+00 -0.492431D+00
                31            32            33            34            35 
      1  -0.914296D+00  0.121664D+01  0.955814D+00  0.223333D+00  0.975930D+00
      2   0.121664D+01  0.486631D+01  0.159603D+01  0.975930D+00  0.201412D+01
      3   0.955814D+00  0.159603D+01  0.737118D+00  0.275535D+00  0.810820D+00
                36            37            38            39            40 
      1   0.275535D+00 -0.788285D+01  0.117769D+01  0.146218D+01 -0.212884D+01
      2   0.810820D+00  0.117769D+01 -0.188583D+01 -0.526824D+00 -0.344872D+01
      3   0.334821D-03  0.146218D+01 -0.526824D+00 -0.928481D+00 -0.147521D+00
                41            42            43            44            45 
      1  -0.344872D+01 -0.147521D+00  0.116312D+01 -0.681273D+00 -0.194164D+01
      2  -0.120144D+01 -0.176686D+00 -0.681273D+00 -0.625843D+00  0.662603D+00
      3  -0.176686D+00 -0.628887D-01 -0.194164D+01  0.662603D+00  0.187402D+01
                46            47            48            49            50 
      1   0.272448D+00  0.515119D+01 -0.324234D+01  0.497210D+01 -0.230254D+01
      2   0.515119D+01 -0.239092D+01 -0.740358D+00 -0.230254D+01 -0.179529D+00
      3  -0.324234D+01 -0.740358D+00  0.344728D+00 -0.820431D+00 -0.324404D+01
                51            52            53            54            55 
      1  -0.820431D+00 -0.237207D+01 -0.818973D+00  0.249710D+00 -0.845131D+00
      2  -0.324404D+01 -0.818973D+00 -0.248492D+01 -0.324815D+01 -0.105825D+01
      3  -0.261272D+01  0.249710D+00 -0.324815D+01  0.245510D+01 -0.145405D+00
                56            57            58            59            60 
      1  -0.105825D+01 -0.145405D+00 -0.102843D+01 -0.293721D+01  0.264266D+00
      2  -0.262298D+01  0.374553D+00 -0.293721D+01  0.259768D+01  0.212751D+01
      3   0.374553D+00 -0.199960D+01  0.264266D+00  0.212751D+01  0.164027D+00
                61            62            63            64            65 
      1  -0.281214D-01  0.460441D+00 -0.244370D+01 -0.146035D+01 -0.288112D+01
      2   0.460441D+00  0.234303D+01  0.670493D+00 -0.288112D+01 -0.184806D+01
      3  -0.244370D+01  0.670493D+00 -0.213001D+01 -0.998148D+00 -0.896389D+00
                66            67            68            69            70 
      1  -0.998148D+00 -0.380865D+01 -0.218757D+01 -0.710618D+00 -0.126775D+01
      2  -0.896389D+00 -0.218757D+01 -0.115763D+02 -0.232232D+01 -0.618482D+00
      3  -0.368158D+00 -0.710618D+00 -0.232232D+01 -0.257239D+01 -0.108601D+01
                71            72            73            74            75 
      1  -0.618482D+00 -0.108601D+01  0.250303D+00 -0.242031D+00 -0.115056D+01
      2  -0.181169D+01 -0.324957D+01 -0.242031D+00  0.885738D-01  0.352337D-01
      3  -0.324957D+01 -0.246832D+01 -0.115056D+01  0.352337D-01 -0.379199D-01
                76            77            78            79            80 
      1  -0.529639D+00 -0.900078D-01  0.160859D+00 -0.179576D+01 -0.409345D-01
      2  -0.900078D-01  0.148922D+01 -0.131975D+01 -0.409345D-01 -0.167923D+01
      3   0.160859D+00 -0.131975D+01  0.134828D+01 -0.266439D+00  0.186642D+01
                81            82            83            84            85 
      1  -0.266439D+00 -0.104405D+01 -0.414733D+00 -0.111385D+01 -0.921433D+00
      2   0.186642D+01 -0.414733D+00 -0.326294D+00 -0.839875D-01 -0.472470D+00
      3  -0.815836D+01 -0.111385D+01 -0.839875D-01 -0.186238D+00 -0.235951D+00
                86            87            88            89            90 
      1  -0.472470D+00 -0.235951D+00 -0.159205D+01 -0.234603D+00 -0.447400D-01
      2  -0.566236D+01 -0.233393D+01 -0.234603D+00 -0.235837D+01 -0.234250D+01
      3  -0.233393D+01 -0.263725D+01 -0.447400D-01 -0.234250D+01 -0.218924D+01
                91            92            93            94            95 
      1   0.131365D+01  0.187125D+01 -0.573238D-02  0.444387D+01  0.417581D+00
      2   0.187125D+01  0.416110D+00  0.198017D+00  0.417581D+00  0.402369D+01
      3  -0.573238D-02  0.198017D+00 -0.329243D+00 -0.367176D+00  0.916908D+00
                96            97            98            99           100 
      1  -0.367176D+00  0.650872D+00 -0.316143D-01 -0.684520D+00  0.515953D+00
      2   0.916908D+00 -0.316143D-01  0.854361D+00  0.603024D+00  0.355526D+00
      3   0.101644D+01 -0.684520D+00  0.603024D+00  0.826397D+00  0.105259D+01
               101           102           103           104           105 
      1   0.355526D+00  0.105259D+01  0.270303D+00  0.586628D+00  0.625586D-01
      2   0.970194D+00  0.334692D+00  0.586628D+00  0.300609D+00  0.727360D+00
      3   0.334692D+00  0.168612D+01  0.625586D-01  0.727360D+00  0.107522D+00
               106           107           108           109           110 
      1   0.217840D+01 -0.158320D-01  0.181227D+01  0.108269D+01  0.155390D+01
      2  -0.158320D-01  0.195381D+01  0.720936D+00  0.155390D+01  0.282818D+01
      3   0.181227D+01  0.720936D+00  0.474354D+01 -0.316501D+00 -0.545732D+00
               111           112           113           114           115 
      1  -0.316501D+00  0.227132D+01  0.233669D+01 -0.576124D+00 -0.109153D+01
      2  -0.545732D+00  0.233669D+01  0.580444D+01 -0.123385D+01 -0.909033D+00
      3   0.652322D+00 -0.576124D+00 -0.123385D+01  0.127729D+01  0.690260D+00
               116           117           118           119           120 
      1  -0.909033D+00  0.690260D+00 -0.505928D+01 -0.212588D+01  0.176114D+01
      2  -0.262700D+01  0.141473D+01 -0.212588D+01 -0.173460D+01  0.134528D+01
      3   0.141473D+01 -0.113279D+01  0.176114D+01  0.134528D+01 -0.269449D+01
               121           122           123           124           125 
      1  -0.211805D+01 -0.118113D+01  0.867776D+00  0.113689D+01  0.849357D+00
      2  -0.118113D+01 -0.218553D+01  0.158018D+01  0.849357D+00  0.114313D+01
      3   0.867776D+00  0.158018D+01 -0.113360D+01 -0.162328D+01 -0.774439D+00
               126           127           128           129           130 
      1  -0.162328D+01  0.479991D+01 -0.341778D+01  0.184195D+01 -0.328615D+01
      2  -0.774439D+00 -0.341778D+01  0.325381D+01 -0.114462D+01  0.297673D+01
      3   0.163177D+01  0.184195D+01 -0.114462D+01  0.174182D+01 -0.948501D+00
               131           132           133           134           135 
      1   0.297673D+01 -0.948501D+00  0.888298D+00 -0.561248D+00  0.111935D+01
      2  -0.429281D+01  0.185120D+01 -0.561248D+00  0.105223D+01 -0.830249D+00
      3   0.185120D+01 -0.126972D+01  0.111935D+01 -0.830249D+00  0.823601D+00
               136           137           138           139           140 
      1   0.804043D+00  0.231540D+00  0.125847D+01  0.873281D+00  0.578784D+00
      2   0.231540D+00  0.827981D+00  0.460368D+00  0.578784D+00  0.342482D+01
      3   0.125847D+01  0.460368D+00  0.987946D+00  0.783539D+00  0.203539D+01
               141           142           143           144           145 
      1   0.783539D+00  0.115730D+01  0.338547D+00  0.755120D+00  0.275451D+00
      2   0.203539D+01  0.338547D+00  0.197233D+01  0.196797D+01 -0.816421D-01
      3   0.349364D+01  0.755120D+00  0.196797D+01  0.413967D+01 -0.934706D+00
               146           147           148           149           150 
      1  -0.816421D-01 -0.934706D+00 -0.703437D-01  0.668449D+00 -0.249493D+00
      2   0.126754D+00  0.103758D+00  0.668449D+00  0.110881D+01 -0.126034D+01
      3   0.103758D+00 -0.471963D-02 -0.249493D+00 -0.126034D+01  0.174911D+01
               151           152           153           154           155 
      1  -0.198067D+01 -0.311254D+00  0.172463D+01  0.142285D+01  0.105066D+01
      2  -0.311254D+00 -0.141518D+01  0.199924D+01  0.105066D+01  0.145664D+01
      3   0.172463D+01  0.199924D+01 -0.929170D+01  0.801323D+00  0.423228D+00
               156           157           158           159           160 
      1   0.801323D+00  0.219944D+01  0.208654D+01  0.315922D+00  0.191820D+01
      2   0.423228D+00  0.208654D+01  0.529930D+01  0.151701D+01  0.796458D+00
      3   0.340132D+00  0.315922D+00  0.151701D+01  0.184184D+01  0.610692D+00
               161           162           163           164           165 
      1   0.796458D+00  0.610692D+00  0.794988D+01 -0.303554D+01 -0.409031D-01
      2   0.222240D+01  0.163730D+01 -0.303554D+01  0.226950D+01  0.504361D-01
      3   0.163730D+01  0.103996D+01 -0.409031D-01  0.504361D-01  0.971726D+00
               166           167           168           169           170 
      1  -0.477538D+01  0.280331D+01  0.305241D+00  0.110415D+01 -0.117049D+00
      2   0.280331D+01 -0.247391D+01  0.289715D+00 -0.117049D+00  0.505771D+00
      3   0.305241D+00  0.289715D+00 -0.699702D+00  0.112114D+01 -0.286936D+00
               171 
      1   0.112114D+01
      2  -0.286936D+00
      3  -0.467720D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.312996D+01  0.250031D+01  0.111498D+01  0.315755D+01  0.250268D+01
      2  -0.774829D+01  0.664048D+00  0.127295D+01  0.157523D+01 -0.900915D+01
      3  -0.126021D+02  0.648614D+01  0.316355D+01  0.138926D+02  0.752920D+01
                 6             7             8             9            10 
      1   0.507395D+00  0.187626D+01  0.459551D+01  0.878193D-01  0.334576D+01
      2  -0.919924D+01 -0.717223D+01 -0.977199D+01  0.186761D+02  0.719596D+01
      3   0.567653D+01  0.116095D+01  0.686701D+01  0.861376D+01  0.509251D+01
                11            12            13            14            15 
      1  -0.511899D+00 -0.244982D+00 -0.413962D+00  0.325551D+01 -0.274555D+01
      2  -0.102501D+01  0.396230D+01 -0.177079D+01  0.437824D+01  0.384422D+01
      3  -0.308153D+01 -0.177116D+01  0.393184D+01 -0.620996D+01 -0.540790D+01
                16            17            18            19            20 
      1  -0.595067D-01  0.408642D+01 -0.297722D+01 -0.359414D+01  0.743312D+00
      2  -0.384582D+01  0.448707D+01 -0.408713D+01 -0.110269D+01  0.153692D+01
      3  -0.215998D+01 -0.444537D+01 -0.455774D+01  0.137281D+01 -0.436462D+01
                21            22            23            24            25 
      1  -0.103148D+01  0.268940D+00  0.823606D+00  0.973289D+00 -0.171260D+01
      2   0.136776D+01  0.508385D+01 -0.208563D+01  0.263734D+01 -0.341195D+01
      3   0.711307D+00  0.189040D+01 -0.323677D+01  0.154158D+01 -0.100329D+01
                26            27            28            29            30 
      1   0.559504D+01  0.464690D+00  0.141535D+01  0.958217D+00  0.503995D+00
      2   0.110076D+01 -0.244185D+01 -0.595819D+01  0.239501D+00 -0.442478D+01
      3   0.112957D+01  0.603613D+00 -0.730562D+01 -0.270084D+00 -0.140006D+01
                31            32            33            34            35 
      1   0.276980D+01 -0.526097D+01  0.633681D+01  0.153539D+01  0.643634D+01
      2   0.508277D+01  0.151421D+00 -0.301560D+01 -0.180880D+02 -0.340602D+01
      3   0.105856D+01  0.116767D+02 -0.349800D+00 -0.351234D+01 -0.472751D+00
                36            37            38            39            40 
      1   0.502968D+01 -0.155771D+01 -0.246437D+01  0.207867D+01 -0.185340D+01
      2   0.329945D+01  0.547306D+00  0.247225D+01  0.836610D+01  0.193638D+01
      3   0.855493D+00 -0.391185D+01 -0.144970D+02 -0.122951D+01 -0.115460D+02
                41            42            43            44            45 
      1  -0.159757D+01 -0.360699D+01 -0.917154D-01  0.234882D+01 -0.135019D+01
      2   0.145092D+01  0.108092D+01  0.655259D+01  0.371973D+00 -0.529573D+01
      3  -0.988745D+01 -0.751525D+00 -0.237582D+00  0.253316D+00  0.126762D+01
                46            47            48            49            50 
      1   0.506397D+01 -0.505373D+01 -0.746667D+00 -0.462542D+01 -0.340545D+01
      2  -0.551750D+01 -0.102499D+02  0.100164D+02 -0.854227D+01 -0.115735D+01
      3  -0.812933D+01 -0.460678D+01  0.527777D+01 -0.373945D+00  0.332845D+01
                51            52            53            54            55 
      1  -0.130807D+02 -0.127349D+01 -0.715635D+01 -0.213489D+01  0.714150D+00
      2  -0.285473D+01  0.260933D+01 -0.304189D+01  0.193453D+01  0.541495D+00
      3   0.572803D+01  0.402747D+01  0.498703D+01  0.404338D+01 -0.298708D+01
                56            57            58            59            60 
      1  -0.329376D+01  0.616433D+01 -0.341204D+01 -0.708507D+01 -0.484161D+01
      2   0.177053D+01  0.612924D+01 -0.476216D+00  0.457926D+00 -0.153027D+01
      3  -0.102736D+02 -0.170523D+01  0.193484D+01 -0.328303D+01  0.197869D+01
                61            62            63            64            65 
      1   0.690891D+01  0.407045D+01  0.472365D+01  0.426363D+00  0.114520D+01
      2  -0.187384D+01 -0.104439D+01  0.207917D+01  0.131744D+01  0.305213D+00
      3   0.422895D+00  0.372485D+01 -0.599501D+01 -0.139894D+01 -0.438408D+01
                66            67            68            69            70 
      1  -0.224256D+01  0.539431D-01  0.480481D+01 -0.972615D+01 -0.459682D+00
      2   0.476970D+01 -0.550940D+01  0.169463D+01  0.537654D+01  0.120492D+01
      3  -0.571736D+00  0.861800D+01 -0.196887D+02 -0.219033D+01  0.133334D+01
                71            72            73            74            75 
      1   0.198844D+01 -0.190883D+01  0.643776D+00 -0.329657D+00  0.160373D+00
      2   0.598428D+01  0.277410D+01  0.118444D+01 -0.673078D-01 -0.527503D-01
      3  -0.225445D+01 -0.563453D+01  0.607189D+00 -0.375836D+00 -0.567484D+00
                76            77            78            79            80 
      1  -0.254309D+00 -0.170418D+01 -0.625870D+00  0.198603D+00  0.276115D+01
      2  -0.189407D+00  0.441524D+00 -0.429791D+00 -0.363168D+01 -0.147882D-02
      3   0.144853D+01  0.433762D+00 -0.293632D+00 -0.934565D+00 -0.515986D+00
                81            82            83            84            85 
      1   0.224898D+01 -0.917171D+00  0.137791D+00 -0.162042D+00 -0.148917D+00
      2   0.851174D+00 -0.257450D+01 -0.272870D+00 -0.862216D-01 -0.164020D+01
      3   0.136916D+00  0.222987D+01  0.572777D+00  0.118361D+01  0.449863D+01
                86            87            88            89            90 
      1   0.100988D+01 -0.319961D+01 -0.808443D-02  0.689341D+00 -0.106150D+01
      2  -0.278142D+01 -0.304973D+01 -0.277466D+01 -0.265991D+01 -0.240778D+01
      3   0.781099D+01  0.350536D+01  0.243513D+01  0.334388D+01  0.320721D+01
                91            92            93            94            95 
      1   0.147028D+01  0.156039D+01  0.139923D+01  0.186197D+01  0.207179D+01
      2  -0.234897D+01 -0.210638D+01 -0.156041D+01 -0.228922D+01 -0.387408D+01
      3   0.642474D+01  0.838476D+01  0.603091D+00  0.120645D+02  0.156929D+02
                96            97            98            99           100 
      1  -0.372300D+00  0.118841D+01  0.162557D+01 -0.220603D+00 -0.295824D+01
      2  -0.328827D+01 -0.213389D+01 -0.222142D+01 -0.106924D+01 -0.189746D+01
      3   0.264000D+01  0.122424D+01  0.209519D+01  0.249597D+00  0.228381D+01
               101           102           103           104           105 
      1   0.107182D+01 -0.516303D+01  0.105037D+01 -0.211854D+01  0.389538D+00
      2   0.680305D-01 -0.971417D+00  0.288862D+00 -0.104863D+01  0.673563D+00
      3  -0.210283D+00  0.257709D+01  0.510325D+00  0.122162D+01  0.135103D-01
               106           107           108           109           110 
      1  -0.569866D+01  0.140668D+01 -0.110005D+02  0.119091D+01  0.241702D+01
      2  -0.385408D+01  0.442388D+00 -0.208800D+01  0.311942D+00 -0.287384D+00
      3   0.542335D+01 -0.410748D+00  0.501702D+01  0.412979D+01  0.301341D+01
               111           112           113           114           115 
      1  -0.264974D+01  0.279279D+01  0.458173D+01 -0.412136D+01 -0.244933D+01
      2   0.146405D+00 -0.260152D+00 -0.434903D+00  0.564564D+00 -0.995259D+00
      3  -0.106186D+01  0.740886D+01  0.587142D+01 -0.193238D+01 -0.377168D+01
               116           117           118           119           120 
      1  -0.301115D+01  0.287724D+01 -0.198654D+01 -0.225853D+01 -0.181847D+01
      2   0.211684D+00 -0.240229D+00  0.125360D+02  0.483410D+01 -0.348229D+01
      3  -0.272007D+01  0.207858D+01  0.104557D+02  0.294875D+01 -0.303978D+01
               121           122           123           124           125 
      1  -0.124669D+01 -0.167708D+01  0.175326D+00 -0.725774D+00  0.229784D+01
      2   0.493846D+01  0.355945D+01 -0.196990D+01 -0.502065D+01 -0.232358D+01
      3   0.551197D+01  0.330311D+01 -0.280226D+01 -0.214338D+01 -0.169645D+01
               126           127           128           129           130 
      1   0.592071D+00 -0.320139D+01  0.443931D+01  0.155069D+01  0.350254D+01
      2   0.393064D+01 -0.498055D+01  0.337542D+01  0.211925D+01  0.437417D+01
      3   0.303988D+01 -0.129921D+01 -0.273818D+01 -0.122582D+00  0.148810D+01
               131           132           133           134           135 
      1  -0.431648D+01 -0.503865D+00  0.179983D+00  0.187963D+01 -0.217207D+00
      2  -0.178855D+01 -0.138767D+01 -0.131572D+01  0.786438D-01 -0.200308D+00
      3   0.354557D+01 -0.165964D+01 -0.681827D+00 -0.116139D+01 -0.151229D+00
               136           137           138           139           140 
      1   0.174366D+01  0.200483D+01  0.145885D+01  0.120444D+01  0.111704D+02
      2   0.462968D+00  0.180560D+00  0.406946D+00 -0.159867D+01  0.245922D+01
      3  -0.569967D+00 -0.207993D+01 -0.170988D+01  0.565897D+00 -0.690282D+01
               141           142           143           144           145 
      1   0.525612D+01  0.142850D+01  0.806467D+01  0.678334D+01  0.204398D+00
      2   0.409831D+01 -0.246204D+01  0.207465D+01  0.448706D+01 -0.264587D+01
      3  -0.342472D+01 -0.794163D+00 -0.340605D+01 -0.347660D+01  0.308769D+00
               146           147           148           149           150 
      1  -0.601810D-02 -0.124675D+00 -0.388944D+00 -0.145273D+01 -0.449403D+00
      2  -0.470095D-01  0.252755D+00  0.116858D-01 -0.233047D+01  0.481884D+01
      3  -0.106618D+01 -0.289509D+00 -0.523963D+00 -0.305986D+01  0.297867D+01
               151           152           153           154           155 
      1  -0.989493D-01  0.362008D+01  0.895442D+00 -0.113162D+01 -0.129176D+01
      2  -0.953984D+00  0.509598D+01 -0.231355D+02  0.345635D+01  0.193608D+01
      3  -0.331874D+00  0.398724D+01 -0.524893D+01 -0.315905D+01 -0.442724D+01
               156           157           158           159           160 
      1  -0.102475D+01 -0.146353D+01 -0.420068D+01 -0.425748D+01 -0.812996D+00
      2   0.233080D+01  0.175631D+01  0.669792D+01  0.653471D+01  0.107233D+01
      3  -0.818490D+00 -0.242057D+01 -0.163760D+02 -0.506825D+01 -0.588157D+00
               161           162           163           164           165 
      1  -0.105172D+01 -0.233624D+01  0.225817D+01 -0.176847D+01  0.777265D+00
      2   0.539019D+01  0.404860D+01  0.625027D+01 -0.260635D+01  0.504581D+01
      3  -0.738060D+01 -0.475267D+01  0.850659D+01 -0.951750D+01  0.547530D-01
               166           167           168           169           170 
      1  -0.188528D+01  0.187796D+01 -0.171615D+01  0.260760D-01  0.240236D+00
      2  -0.277139D+01  0.321891D+01 -0.290381D+01  0.276327D+01 -0.713944D+00
      3  -0.662724D+01  0.817789D+01 -0.114750D+01  0.131455D+00 -0.192423D+01
               171 
      1   0.220313D+00
      2  -0.149563D+00
      3   0.703649D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114819D+02  0.249950D+02 -0.118271D+02  0.301074D+02 -0.170911D+02
      2   0.272194D+01 -0.139781D+02  0.543657D+01 -0.165866D+02  0.245140D+01
      3   0.875997D+01 -0.110169D+02  0.639053D+01 -0.135208D+02  0.146397D+02
      4   0.267309D+02 -0.150647D+02 -0.528131D+01 -0.212431D+02 -0.116253D+02
      5  -0.105594D+02 -0.855187D+01  0.440701D+01 -0.101853D+02 -0.101756D+02
      6  -0.497277D+01  0.225940D+01  0.106109D+00  0.173895D+01 -0.912928D+00
                 6             7             8             9            10 
      1  -0.889431D+01 -0.151221D+02 -0.627382D+01  0.120629D+02 -0.638499D+01
      2  -0.283470D+01  0.404909D+01 -0.472915D+01  0.783161D+01  0.184030D+01
      3   0.117290D+02  0.110730D+02  0.110030D+02 -0.198945D+02  0.454469D+01
      4  -0.118380D+02 -0.430285D+01 -0.136413D+02 -0.131824D+02 -0.117155D+02
      5  -0.137482D+02  0.102868D+00 -0.139906D+02  0.280785D+02  0.112939D+02
      6  -0.426008D+00 -0.112492D+01 -0.566878D+00  0.597145D+01 -0.455830D+01
                11            12            13            14            15 
      1  -0.108072D+02  0.101161D+02 -0.148560D+02  0.106916D+02  0.688534D+01
      2   0.519502D+01 -0.678823D+01  0.791430D+01 -0.879707D+01 -0.100880D+02
      3   0.561222D+01 -0.332788D+01  0.694167D+01 -0.189457D+01  0.320263D+01
      4   0.468159D+01  0.178199D+01  0.102913D+02  0.558597D+01  0.595659D+01
      5   0.374446D+01 -0.166707D+01  0.680935D+01  0.653372D+01  0.739056D+01
      6   0.123921D+01 -0.800009D+00  0.642136D+00 -0.100054D+02 -0.384778D+01
                16            17            18            19            20 
      1   0.133294D+02  0.525054D+01  0.488685D+01 -0.884543D+01 -0.447507D+00
      2  -0.669648D+01 -0.382286D+01 -0.487213D+01  0.101569D+02 -0.225153D+00
      3  -0.663296D+01 -0.142768D+01 -0.147247D-01 -0.131145D+01  0.672660D+00
      4   0.464115D+01  0.551809D+01  0.891990D+01 -0.138932D+01  0.347537D+01
      5  -0.593030D+00  0.897036D+01 -0.102443D+02 -0.227217D+01 -0.233161D+00
      6   0.586407D+00 -0.603946D+01  0.146024D+01  0.325711D+01 -0.275647D+01
                21            22            23            24            25 
      1   0.208044D+00  0.631909D+01  0.253663D+01 -0.149958D+01 -0.429557D+01
      2   0.182142D+01 -0.251186D+01 -0.535141D+01 -0.342036D+01  0.322320D+01
      3  -0.202946D+01 -0.380723D+01  0.281478D+01  0.491994D+01  0.107237D+01
      4   0.123695D+01 -0.702687D+01  0.582980D+01  0.643408D+00 -0.415403D+01
      5   0.468750D+00 -0.246848D+01  0.483921D+00  0.351143D+01 -0.946032D+00
      6   0.884481D+00 -0.962946D+00  0.722461D+00 -0.522607D+01 -0.441468D+00
                26            27            28            29            30 
      1  -0.106707D+01  0.105541D+02 -0.573220D+01  0.102878D+02  0.142166D+01
      2  -0.909573D+01  0.819564D+01  0.133848D+00 -0.799187D+01 -0.582761D+01
      3   0.101628D+02 -0.187497D+02  0.559835D+01 -0.229590D+01  0.440595D+01
      4   0.843814D+00  0.129874D+00  0.474963D+01 -0.800103D+01 -0.276390D+01
      5  -0.122053D+01  0.557987D+00  0.326732D+01 -0.296747D+01 -0.682889D+01
      6  -0.351009D+01  0.960000D+01 -0.150723D+01 -0.220628D+01 -0.135113D+01
                31            32            33            34            35 
      1   0.155722D+01  0.873057D+01  0.291052D+01  0.303251D+01 -0.538074D+00
      2  -0.341634D+01 -0.173196D+02  0.383711D+01 -0.398944D+01 -0.286085D+01
      3   0.185912D+01  0.858898D+01 -0.674763D+01  0.956925D+00  0.339893D+01
      4  -0.158597D+02 -0.226019D+02 -0.582050D+01 -0.866215D+01 -0.298566D+01
      5  -0.860388D+01 -0.752681D+01 -0.550534D+01 -0.110372D+00 -0.376946D+01
      6  -0.288195D+01 -0.814383D+01 -0.102777D+02 -0.301978D+01  0.151119D+01
                36            37            38            39            40 
      1  -0.384619D+01  0.497251D+02 -0.693469D+01 -0.508664D+01  0.681137D+01
      2  -0.332943D+01 -0.293441D+02  0.114754D+01  0.628649D+01 -0.759503D+01
      3   0.717562D+01 -0.203810D+02  0.578715D+01 -0.119985D+01  0.783660D+00
      4  -0.469584D+01 -0.161029D+02  0.158410D+02  0.224995D+01  0.161464D+02
      5   0.374730D+01 -0.913611D+01  0.144524D+01  0.157296D+02  0.148837D+00
      6  -0.702698D+01 -0.512638D+00 -0.280572D+00 -0.264634D+01 -0.162262D+01
                41            42            43            44            45 
      1   0.112423D+02 -0.421441D+00 -0.288100D+01  0.237751D+01  0.612588D+01
      2  -0.426158D+01 -0.122804D+01  0.276626D+01 -0.140554D+01 -0.100096D+02
      3  -0.698067D+01  0.164948D+01  0.114743D+00 -0.971963D+00  0.388369D+01
      4  -0.106481D+01 -0.644922D+00  0.382014D+01 -0.701455D+00 -0.346649D+01
      5  -0.532880D+00 -0.587660D+00  0.153167D+02 -0.394164D+01 -0.116556D+02
      6  -0.113057D+01  0.618513D+01 -0.117013D+01  0.442314D+01  0.145666D+01
                46            47            48            49            50 
      1   0.855682D+01  0.148328D+02 -0.963159D+01  0.140717D+02 -0.322388D+01
      2  -0.960253D+01 -0.437447D+00  0.575725D+01  0.170395D+00  0.645601D+01
      3   0.104571D+01 -0.143953D+02  0.387435D+01 -0.142421D+02 -0.323213D+01
      4   0.128302D+02 -0.186527D+02  0.631276D+01 -0.191295D+02  0.445346D+01
      5  -0.668789D+01  0.105253D+02 -0.647793D+01  0.904005D+01 -0.142243D+02
      6   0.175943D+02 -0.563712D+01 -0.333117D+01 -0.630584D+01  0.237179D+01
                51            52            53            54            55 
      1   0.335560D+01 -0.834542D+01  0.203758D+01 -0.653115D+01  0.152602D+02
      2   0.129538D+02  0.455449D+01  0.103796D+02  0.254603D+01 -0.112805D+02
      3  -0.163094D+02  0.379093D+01 -0.124172D+02  0.398512D+01 -0.397966D+01
      4  -0.908175D+01  0.378886D+01 -0.595348D+01 -0.955037D+01 -0.197276D+01
      5  -0.106942D+02 -0.754616D+01 -0.111022D+02  0.591621D+01 -0.109673D+01
      6  -0.844597D+01 -0.362723D+01 -0.539563D+01 -0.115545D+02 -0.695008D+00
                56            57            58            59            60 
      1   0.701685D+01 -0.340743D-01  0.519224D+01 -0.103021D+02 -0.657023D+01
      2  -0.133964D+02  0.397930D+01 -0.124342D+02  0.139389D+02  0.100933D+02
      3   0.637954D+01 -0.394522D+01  0.724192D+01 -0.363681D+01 -0.352304D+01
      4  -0.216757D+01 -0.123383D+01  0.291495D+01 -0.137243D+02  0.368820D+00
      5   0.179382D+00  0.249566D+01  0.657764D+00 -0.811789D+00 -0.255145D+01
      6   0.241771D+01 -0.819200D+01  0.169850D+01  0.125604D+02  0.619596D+01
                61            62            63            64            65 
      1  -0.226090D+01 -0.725943D+01 -0.897388D-01  0.102714D+02  0.585203D+01
      2   0.671923D+01  0.133948D+02  0.154960D+01 -0.211501D+01  0.116964D+01
      3  -0.445832D+01 -0.613535D+01 -0.145986D+01 -0.815640D+01 -0.702166D+01
      4   0.305466D-01  0.156479D+01 -0.857404D+01  0.161425D+02  0.190720D+02
      5   0.340271D+01 -0.219718D+01 -0.386162D+01  0.696196D+01  0.570080D+01
      6  -0.945241D+01  0.348917D+01 -0.396225D+01  0.351948D+01  0.321039D+01
                66            67            68            69            70 
      1   0.138757D+01  0.813661D+01 -0.217135D+02 -0.586107D+01  0.258646D+01
      2  -0.849080D+00  0.131956D+01  0.393822D+02  0.213515D+01 -0.101376D+01
      3  -0.538488D+00 -0.945617D+01 -0.176687D+02  0.372592D+01 -0.157270D+01
      4   0.471997D+01  0.221141D+02  0.444887D+02  0.957020D+01  0.457683D+01
      5   0.926221D+01  0.612689D+01  0.113764D+02  0.112516D+02  0.100761D+02
      6   0.425983D+01  0.533690D+01  0.131136D+02  0.165276D+02  0.508189D+01
                71            72            73            74            75 
      1  -0.500079D+01 -0.599311D+01  0.888056D+00  0.637274D+00 -0.343753D+00
      2   0.253770D+01  0.661633D+00 -0.384523D+01 -0.508774D+00 -0.425144D+00
      3   0.246309D+01  0.533148D+01  0.295718D+01 -0.128501D+00  0.768897D+00
      4   0.681938D+01  0.125115D+02 -0.220919D+00  0.168300D+01 -0.193923D+01
      5   0.127836D+02  0.103969D+02  0.299830D+00 -0.137893D+01  0.559145D+01
      6   0.142600D+02  0.952941D+01 -0.220202D+01  0.782722D+00 -0.180274D+00
                76            77            78            79            80 
      1   0.220307D+00 -0.543850D+01  0.363566D+01  0.477928D+00  0.557647D+01
      2   0.287052D+00  0.171467D+01 -0.515044D+00  0.149563D+00  0.471982D+00
      3  -0.507359D+00  0.372383D+01 -0.312062D+01 -0.627491D+00 -0.604845D+01
      4   0.259187D+01 -0.114603D+01  0.592183D+00 -0.546486D+00  0.897082D+00
      5  -0.656940D+00  0.952876D-01 -0.807898D+00  0.545945D+01  0.855577D-01
      6   0.929940D+00 -0.439432D+01  0.878645D+01  0.250631D+00  0.784718D+01
                81            82            83            84            85 
      1  -0.190129D+02 -0.266807D+00 -0.966004D+00 -0.278127D+01 -0.295174D+01
      2  -0.136333D+02  0.221518D+01  0.757025D+00  0.194160D+01  0.236379D+01
      3   0.326462D+02 -0.194837D+01  0.208979D+00  0.839679D+00  0.587941D+00
      4  -0.493495D+00 -0.155766D+00  0.332361D+01  0.149363D+01  0.234032D+01
      5   0.138838D+01 -0.200073D+01  0.134333D+01  0.210461D+01  0.950243D+00
      6  -0.139338D+02  0.301428D+01  0.530798D+00  0.675934D+00  0.780034D+00
                86            87            88            89            90 
      1  -0.137525D+02 -0.529665D+01 -0.442822D+01 -0.631376D+01 -0.746692D+01
      2   0.183029D+02  0.700264D+01  0.242694D+01  0.439997D+01  0.238177D+01
      3  -0.455040D+01 -0.170599D+01  0.200128D+01  0.191379D+01  0.508515D+01
      4  -0.114128D+02 -0.463174D+01 -0.452242D-01 -0.484408D+01 -0.438867D+01
      5  -0.460154D+01 -0.610222D+01  0.263768D+01 -0.466490D+01 -0.393258D+01
      6   0.124402D+02  0.100997D+02  0.104284D+01  0.106508D+02  0.941908D+01
                91            92            93            94            95 
      1  -0.114093D+02 -0.358405D+01  0.167822D+00 -0.159712D+02 -0.575980D+01
      2   0.102226D+02  0.588880D+00 -0.634398D-01  0.936266D+01  0.808556D+01
      3   0.118671D+01  0.299517D+01 -0.104382D+00  0.660852D+01 -0.232576D+01
      4  -0.385414D+01  0.540836D+00 -0.113272D+00  0.618139D+01 -0.149552D+02
      5   0.903889D+00  0.495237D+00 -0.141672D+01  0.269581D+01 -0.288826D+01
      6   0.727655D+00 -0.438709D+00 -0.209710D+01 -0.742058D+00  0.270915D+01
                96            97            98            99           100 
      1  -0.187175D-01 -0.138927D+01 -0.139767D+01 -0.745017D+00 -0.849079D+00
      2   0.589296D+00  0.119346D+01  0.113505D+01 -0.307099D+00 -0.183150D+00
      3  -0.570579D+00  0.195805D+00  0.262625D+00  0.105212D+01  0.103223D+01
      4  -0.385330D+01  0.855117D+00 -0.300587D+01 -0.308666D+01  0.173223D+01
      5  -0.486794D+01  0.332781D+01 -0.265404D+01 -0.263109D+01  0.215812D+01
      6   0.167335D+01 -0.163586D+01  0.271814D+01  0.169379D+01  0.315103D+01
               101           102           103           104           105 
      1  -0.242534D+01 -0.168455D+01 -0.109267D+00 -0.168606D+01 -0.132018D+01
      2   0.363820D+01 -0.693745D+00  0.123784D+01  0.156108D+01  0.177749D+01
      3  -0.121287D+01  0.237830D+01 -0.112857D+01  0.124977D+00 -0.457307D+00
      4   0.340346D+01  0.293498D+01  0.297795D+01  0.153571D+01  0.166808D+01
      5   0.724784D+00  0.330525D+01  0.569515D+00  0.177600D+01  0.815604D+00
      6   0.269091D+01  0.636144D+01  0.201339D+01  0.145755D+01  0.319858D+01
               106           107           108           109           110 
      1  -0.144358D+01 -0.411243D+01 -0.729166D+01 -0.158375D+01 -0.693216D+01
      2  -0.230813D+01  0.506665D+01 -0.444735D+01  0.565653D+01  0.142690D+02
      3   0.375171D+01 -0.954222D+00  0.117390D+02 -0.407278D+01 -0.733686D+01
      4   0.599270D+01  0.212787D+01  0.522034D+01  0.481081D+01  0.888734D+01
      5   0.371347D+01  0.924171D+00  0.484070D+01 -0.145848D+01 -0.912825D+00
      6   0.593875D+01  0.523483D+01  0.152262D+02 -0.229548D+01 -0.372918D+01
               111           112           113           114           115 
      1   0.532412D+00 -0.556970D+01 -0.158568D+02  0.356313D+01  0.233407D+01
      2  -0.261773D+01  0.112268D+02  0.300789D+02 -0.691189D+01 -0.417967D+01
      3   0.208532D+01 -0.565709D+01 -0.142220D+02  0.334875D+01  0.184560D+01
      4  -0.169979D+01  0.928772D+01  0.110576D+02 -0.313087D+01 -0.317789D+01
      5   0.190834D+01  0.218373D+00 -0.136134D+01  0.784508D+00  0.180350D+01
      6   0.331280D+01 -0.363759D+01 -0.833269D+01  0.629290D+01  0.382113D+01
               116           117           118           119           120 
      1   0.731346D+01 -0.469853D+01 -0.100626D+02 -0.970282D+01  0.109416D+02
      2  -0.119808D+02  0.543905D+01  0.577327D+01  0.641971D+01 -0.103696D+01
      3   0.466736D+01 -0.740518D+00  0.428930D+01  0.328311D+01 -0.990462D+01
      4  -0.437885D+01  0.326676D+01  0.751732D+01  0.467677D+01 -0.246520D+01
      5   0.140111D+01 -0.999514D+00 -0.999485D+01 -0.429136D+01  0.358432D+01
      6   0.924958D+01 -0.607979D+01 -0.826748D+01 -0.802866D+01  0.892921D+01
               121           122           123           124           125 
      1  -0.824909D+01 -0.915851D+01  0.638971D+01  0.756310D+01  0.543963D+01
      2   0.556901D+01  0.813742D+01 -0.367481D+01 -0.596302D+00 -0.272851D+01
      3   0.268008D+01  0.102110D+01 -0.271490D+01 -0.696679D+01 -0.271113D+01
      4   0.578061D+01  0.794734D+00  0.128924D+00 -0.187459D+01 -0.653775D+00
      5  -0.496790D+01 -0.497031D+00  0.164602D+01  0.553481D+01  0.246583D+01
      6  -0.538503D+01 -0.903950D+01  0.842178D+01  0.646784D+01  0.718017D+01
               126           127           128           129           130 
      1  -0.846658D+01  0.169041D+02 -0.735846D+01  0.216554D+01 -0.724759D+01
      2  -0.710600D+00 -0.397268D+01 -0.314525D+01 -0.315723D+01 -0.324973D+01
      3   0.917718D+01 -0.129314D+02  0.105037D+02  0.991686D+00  0.104973D+02
      4   0.321188D+01 -0.234534D+02  0.209165D+02 -0.808613D+01  0.202149D+02
      5  -0.322106D+01  0.174462D+02 -0.121004D+02  0.121411D+02 -0.113952D+02
      6  -0.619168D+01 -0.113099D+02  0.109217D+02 -0.717753D+01  0.942729D+01
               131           132           133           134           135 
      1  -0.695036D+00  0.150387D+01  0.501571D+00  0.110727D+01  0.409135D+00
      2   0.111442D+02 -0.181629D+01 -0.225108D+01 -0.106498D+00 -0.168407D+01
      3  -0.104492D+02  0.312417D+00  0.174951D+01 -0.100077D+01  0.127494D+01
      4  -0.226628D+02  0.821161D+01 -0.389934D+01  0.447032D+01 -0.579103D+01
      5   0.120014D+02 -0.701950D+01  0.894864D+01 -0.555140D+01  0.602669D+01
      6  -0.140792D+02  0.100450D+02 -0.538662D+01  0.778644D+01 -0.460728D+01
               136           137           138           139           140 
      1   0.147171D+01  0.915246D+00  0.256793D+01  0.235004D+01 -0.216835D+01
      2  -0.328081D+01 -0.292868D+01 -0.479962D+01 -0.444820D+01 -0.421779D+01
      3   0.180910D+01  0.201344D+01  0.223168D+01  0.209817D+01  0.638614D+01
      4   0.119106D+01  0.536645D+01  0.831706D+00  0.466121D+01  0.829912D+01
      5   0.619715D+01  0.273948D+01  0.843611D+01  0.583533D+01  0.824276D+01
      6   0.455878D+00  0.300431D+01  0.153616D+01  0.235899D+01  0.117362D+02
               141           142           143           144           145 
      1  -0.513789D+01  0.213112D+01 -0.310548D+01 -0.793279D+01  0.180510D+01
      2  -0.102489D+02 -0.452695D+01 -0.714902D+01 -0.136078D+02 -0.357392D+01
      3   0.153868D+02  0.239584D+01  0.102545D+02  0.215406D+02  0.176882D+01
      4   0.591705D+01  0.487829D+00  0.496995D+01  0.540087D+01 -0.669188D+00
      5   0.121890D+02  0.769880D+01  0.674964D+01  0.137904D+02 -0.454779D+01
      6   0.798438D+01  0.143292D+01  0.879708D+01  0.696342D+01 -0.797086D+00
               146           147           148           149           150 
      1  -0.577021D+00 -0.585107D+01 -0.882033D+00 -0.712443D+00  0.302745D+01
      2   0.286967D+00  0.296816D+01 -0.649472D-01 -0.647591D+00  0.167528D+01
      3   0.290054D+00  0.288291D+01  0.946980D+00  0.136003D+01 -0.470273D+01
      4   0.262698D+01 -0.110539D+01  0.538800D+01  0.535955D+01 -0.582988D+01
      5  -0.777512D+00  0.663227D+01 -0.202985D+01 -0.563189D+01  0.918080D+01
      6  -0.190258D+00  0.391370D+00 -0.148414D+01 -0.367590D+01  0.809829D+01
               151           152           153           154           155 
      1  -0.814717D+01  0.310752D+01 -0.138888D+02  0.101869D+02  0.517473D+01
      2   0.840123D+01  0.180602D+01 -0.193136D+02 -0.190806D+01  0.125133D+00
      3  -0.254057D+00 -0.491354D+01  0.332024D+02 -0.827888D+01 -0.529987D+01
      4  -0.292650D+01 -0.677450D+01  0.858359D+01  0.684803D+01  0.126826D+02
      5   0.147948D+02  0.930479D+01 -0.445388D+02  0.375237D+01  0.309035D+01
      6   0.111863D+01  0.792560D+01 -0.843859D+01  0.130024D+01 -0.515303D+00
               156           157           158           159           160 
      1   0.442766D+01  0.103724D+02  0.579207D+01  0.177319D+01  0.103408D+02
      2  -0.131847D+01 -0.198446D+01  0.981849D+01  0.350244D+01 -0.418594D+01
      3  -0.310918D+01 -0.838796D+01 -0.156106D+02 -0.527563D+01 -0.615487D+01
      4   0.410190D+01  0.169237D+02  0.300691D+02  0.852051D+01  0.677751D+01
      5   0.313953D+01  0.224388D+01  0.822012D+01  0.105998D+02  0.443531D+01
      6   0.443697D+00 -0.249906D+00  0.531847D+00  0.352605D+01  0.142401D+01
               161           162           163           164           165 
      1   0.285795D+01 -0.513909D-02  0.570966D+02 -0.201145D+02  0.730077D+00
      2   0.298211D+01 -0.229744D+00 -0.273896D+02  0.908353D+01  0.673309D+00
      3  -0.584006D+01  0.234883D+00 -0.297071D+02  0.110309D+02 -0.140339D+01
      4   0.124733D+02  0.871125D+01 -0.231223D+02  0.176862D+02  0.463724D+00
      5   0.909393D+01  0.653748D+01 -0.645686D+01  0.266468D+01  0.839870D+01
      6   0.329363D+01  0.239464D+01  0.409795D+01 -0.327458D+01 -0.112550D+01
               166           167           168           169           170 
      1  -0.292328D+02  0.145803D+02  0.101594D+01  0.730306D+01 -0.959059D+00
      2   0.127019D+02 -0.250631D+01 -0.909098D+00 -0.244890D+01  0.745410D+00
      3   0.165309D+02 -0.120740D+02 -0.106840D+00 -0.485416D+01  0.213649D+00
      4   0.221073D+02 -0.183842D+02  0.132334D+01 -0.138160D+01  0.325436D+01
      5   0.501149D+01 -0.478114D+00 -0.548504D+01  0.860544D+01 -0.279056D+01
      6  -0.358429D+01  0.351070D+01  0.240261D+01 -0.141018D+01  0.212286D+01
               171 
      1   0.445344D+01
      2  -0.393680D+01
      3  -0.516646D+00
      4  -0.272689D+01
      5  -0.212632D+01
      6  -0.480458D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.154786D+01      0.393428D+01      0.131233D+02
   y          0.136513D+01      0.346982D+01      0.115741D+02
   z          0.164283D+00      0.417565D+00      0.139285D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.807011D+02      0.119587D+02      0.133058D+02
   yx        -0.457665D-02     -0.678190D-03     -0.754588D-03
   yy         0.752912D+02      0.111570D+02      0.124138D+02
   zx        -0.185131D+01     -0.274336D+00     -0.305240D+00
   zy         0.127550D+01      0.189009D+00      0.210301D+00
   zz         0.661928D+02      0.980876D+01      0.109137D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.796182D+02      0.117982D+02      0.131273D+02
   aniso      0.141623D+02      0.209864D+01      0.233505D+01
   xx         0.866625D+02      0.128421D+02      0.142887D+02
   yx        -0.103555D+00     -0.153452D-01     -0.170738D-01
   yy         0.809778D+02      0.119997D+02      0.133514D+02
   zx        -0.193023D+01     -0.286030D+00     -0.318251D+00
   zy         0.143949D+01      0.213311D+00      0.237340D+00
   zz         0.712143D+02      0.105529D+02      0.117416D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.03710086         -1.09842908          3.53932826
     6          1.71661404         -1.29760070          0.98095161
     6          0.22880301          1.12916899          0.37949233
     6         -0.66596329          1.14697422         -2.39244329
     8         -2.98841012          2.08991917         -2.71344322
     6          0.05751645         -3.65876329          0.82536092
     7         -1.91474647          1.69486481          2.05255782
     8          0.62535381          0.43068347         -4.11637230
     1          1.53851496          2.72335584          0.50867969
     1          3.14909156         -1.43991957         -0.49640871
     1         -3.57907889          2.50532414         -0.99789162
     1         -2.71854940          0.09691596          2.73392447
     1         -1.40008244          2.77425213          3.54056080
     1         -0.85478408         -3.82277760         -1.01540975
     1          1.19735469         -5.35165741          1.11392006
     1         -1.40774856         -3.67449984          2.28451712
     1          4.27801417          0.54925867          3.62055300
     1          1.67381743         -0.94532920          5.08403066
     1          4.18668751         -2.77189868          3.89800763

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.207038D+01      0.526237D+01      0.175534D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.736711D+02      0.109169D+02      0.121467D+02
   yx        -0.590766D+01     -0.875425D+00     -0.974041D+00
   yy         0.703470D+02      0.104243D+02      0.115987D+02
   zx         0.277889D+01      0.411789D+00      0.458177D+00
   zy        -0.886233D+00     -0.131326D+00     -0.146120D+00
   zz         0.781671D+02      0.115832D+02      0.128880D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.796182D+02      0.117982D+02      0.131273D+02
   aniso      0.141623D+02      0.209864D+01      0.233505D+01
   xx         0.792623D+02      0.117455D+02      0.130686D+02
   yx        -0.637087D+01     -0.944065D+00     -0.105041D+01
   yy         0.756790D+02      0.112145D+02      0.124778D+02
   zx         0.287405D+01      0.425891D+00      0.473867D+00
   zy        -0.981436D+00     -0.145434D+00     -0.161817D+00
   zz         0.839133D+02      0.124347D+02      0.138354D+02

 ----------------------------------------------------------------------
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 At the touch of love, everyone becomves a poet.
                                -- Plato
 Job cpu time:       0 days  3 hours  1 minutes  5.9 seconds.
 Elapsed time:       0 days  0 hours 22 minutes 42.3 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:23:04 2021.
